# all_value

name: cc-pV5Z(fi/sf/fw)
description: V5Z4P Relativistic Valence Quintuple Zeta + Polarization
elt: Se
data:
SELENIUM
S   22
  1      1.5443225E+08          9.06806964112E-06      
  2      2.3129212E+07          4.09003589723E-05      
  3      5.2617929E+06          9.93799587632E-05      
  4      1.4888167E+06          2.25335854324E-04      
  5      4.8465656E+05          4.80832367961E-04      
  6      1.7427063E+05          1.04265877463E-03      
  7      6.7529090E+04          2.31630407463E-03      
  8      2.7750837E+04          5.33563833254E-03      
  9      1.1964216E+04          1.24449581891E-02      
 10      5.3707148E+03          2.86094510658E-02      
 11      2.4973194E+03          6.26385905729E-02      
 12      1.1987679E+03          1.25679305600E-01      
 13      5.9258026E+02          2.17946075784E-01      
 14      3.0097708E+02          2.96327813112E-01      
 15      1.5646024E+02          2.66761539757E-01      
 16      8.2476086E+01          1.21819839631E-01      
 17      4.2270887E+01          1.70455878410E-02      
 18      2.2630220E+01          1.99069900240E-05      
 19      1.2122374E+01          2.94177582685E-04      
 20      6.2491700E+00         -1.67454858050E-04      
 21      3.2426780E+00          2.81174442874E-05      
 22      1.6663620E+00         -3.76300233896E-05      
S   22
  1      1.5443225E+08         -2.94967943834E-06      
  2      2.3129212E+07         -1.32743658480E-05      
  3      5.2617929E+06         -3.23084950949E-05      
  4      1.4888167E+06         -7.31093068157E-05      
  5      4.8465656E+05         -1.56100899053E-04      
  6      1.7427063E+05         -3.37313523212E-04      
  7      6.7529090E+04         -7.50684392774E-04      
  8      2.7750837E+04         -1.73118760645E-03      
  9      1.1964216E+04         -4.07752930319E-03      
 10      5.3707148E+03         -9.50630698429E-03      
 11      2.4973194E+03         -2.14617826874E-02      
 12      1.1987679E+03         -4.54072126273E-02      
 13      5.9258026E+02         -8.74171680620E-02      
 14      3.0097708E+02         -1.42671407079E-01      
 15      1.5646024E+02         -1.72088149762E-01      
 16      8.2476086E+01         -7.04574475271E-02      
 17      4.2270887E+01          2.47797578909E-01      
 18      2.2630220E+01          5.18961590301E-01      
 19      1.2122374E+01          3.44487053498E-01      
 20      6.2491700E+00          6.50789326493E-02      
 21      3.2426780E+00          2.24061628629E-03      
 22      1.6663620E+00          1.37451186817E-03      
S   22
  1      1.5443225E+08          1.16568691753E-06      
  2      2.3129212E+07          5.23955203494E-06      
  3      5.2617929E+06          1.27775927189E-05      
  4      1.4888167E+06          2.88751973577E-05      
  5      4.8465656E+05          6.18342260812E-05      
  6      1.7427063E+05          1.33345758115E-04      
  7      6.7529090E+04          2.97543586987E-04      
  8      2.7750837E+04          6.84782589349E-04      
  9      1.1964216E+04          1.61685336050E-03      
 10      5.3707148E+03          3.76973152951E-03      
 11      2.4973194E+03          8.55150614259E-03      
 12      1.1987679E+03          1.81964074633E-02      
 13      5.9258026E+02          3.55619462171E-02      
 14      3.0097708E+02          5.94739604676E-02      
 15      1.5646024E+02          7.51326217923E-02      
 16      8.2476086E+01          3.20056109732E-02      
 17      4.2270887E+01         -1.38198053137E-01      
 18      2.2630220E+01         -3.92226492164E-01      
 19      1.2122374E+01         -3.46075583828E-01      
 20      6.2491700E+00          1.91824010989E-01      
 21      3.2426780E+00          6.49088412705E-01      
 22      1.6663620E+00          4.22732092379E-01      
S   22
  1      1.5443225E+08         -3.42636649247E-07      
  2      2.3129212E+07         -1.53926983919E-06      
  3      5.2617929E+06         -3.75535229804E-06      
  4      1.4888167E+06         -8.48002756028E-06      
  5      4.8465656E+05         -1.81713842101E-05      
  6      1.7427063E+05         -3.91482039917E-05      
  7      6.7529090E+04         -8.74330623717E-05      
  8      2.7750837E+04         -2.01048092896E-04      
  9      1.1964216E+04         -4.75265661927E-04      
 10      5.3707148E+03         -1.10738826825E-03      
 11      2.4973194E+03         -2.51542939399E-03      
 12      1.1987679E+03         -5.35350459461E-03      
 13      5.9258026E+02         -1.04966976351E-02      
 14      3.0097708E+02         -1.75946869641E-02      
 15      1.5646024E+02         -2.24320110688E-02      
 16      8.2476086E+01         -9.54690250972E-03      
 17      4.2270887E+01          4.25810911833E-02      
 18      2.2630220E+01          1.27892146295E-01      
 19      1.2122374E+01          1.16064138432E-01      
 20      6.2491700E+00         -7.59265223045E-02      
 21      3.2426780E+00         -3.01203321557E-01      
 22      1.6663620E+00         -3.62606642456E-01      
S   1
  1      7.8726400E-01          1.0000000        
S   1
  1      4.0297200E-01          1.0000000        
S   1
  1      1.8709600E-01          1.0000000        
S   1
  1      8.4706000E-02          1.0000000        
P   13
  1      3.6511337E+04          1.37755555714E-04      
  2      8.6405510E+03          4.97700962979E-04      
  3      2.8056911E+03          2.23227902314E-03      
  4      1.0734961E+03          8.62173268599E-03      
  5      4.5577475E+02          2.92390231045E-02      
  6      2.0809432E+02          8.29515623217E-02      
  7      1.0023111E+02          1.87894566295E-01      
  8      5.0073522E+01          3.15063871579E-01      
  9      2.5700262E+01          3.40723403996E-01      
 10      1.3346792E+01          1.85207208643E-01      
 11      6.7870510E+00          3.65804831641E-02      
 12      3.3916540E+00          2.07023371068E-03      
 13      1.6703270E+00          6.52799471176E-04      
P   13
  1      3.6511337E+04         -5.46841807731E-05      
  2      8.6405510E+03         -1.97830852956E-04      
  3      2.8056911E+03         -8.91949424416E-04      
  4      1.0734961E+03         -3.46452973158E-03      
  5      4.5577475E+02         -1.19120912790E-02      
  6      2.0809432E+02         -3.46277784251E-02      
  7      1.0023111E+02         -8.16456343216E-02      
  8      5.0073522E+01         -1.43958130877E-01      
  9      2.5700262E+01         -1.59997291545E-01      
 10      1.3346792E+01          2.82434558186E-03      
 11      6.7870510E+00          3.14874654065E-01      
 12      3.3916540E+00          4.75818409598E-01      
 13      1.6703270E+00          2.86309441708E-01      
P   13
  1      3.6511337E+04          1.31961571681E-05      
  2      8.6405510E+03          4.76600150385E-05      
  3      2.8056911E+03          2.15461936825E-04      
  4      1.0734961E+03          8.35766669037E-04      
  5      4.5577475E+02          2.88426970066E-03      
  6      2.0809432E+02          8.39168922798E-03      
  7      1.0023111E+02          1.99333776941E-02      
  8      5.0073522E+01          3.52746065150E-02      
  9      2.5700262E+01          3.95972207030E-02      
 10      1.3346792E+01         -5.46683544482E-03      
 11      6.7870510E+00         -9.34393732033E-02      
 12      3.3916540E+00         -1.53386511011E-01      
 13      1.6703270E+00         -1.01008935004E-01      
P   1
  1      7.5259900E-01          1.0000000        
P   1
  1      3.4681300E-01          1.0000000        
P   1
  1      1.5185500E-01          1.0000000        
P   1
  1      6.3856000E-02          1.0000000        
D   9
  1      1.6350663E+03          7.40071902890E-05      
  2      4.9467266E+02          6.34578344024E-04      
  3      1.9284388E+02          3.66538073928E-03      
  4      8.5782195E+01          1.53236010021E-02      
  5      4.1149966E+01          4.79155590148E-02      
  6      2.0678170E+01          1.17055642808E-01      
  7      1.0726386E+01          2.14850799884E-01      
  8      5.6124540E+00          2.91714774907E-01      
  9      2.9203760E+00          2.99835960985E-01      
D   1
  1      1.4981840E+00          1.0000000        
D   1
  1      7.3599900E-01          1.0000000        
D   1
  1      3.1600400E-01          1.0000000        
D   1
  1      1.3310000E-01          1.0000000        
F   1
  1      8.4420000E-01          1.0000000        
F   1
  1      4.2110000E-01          1.0000000        
F   1
  1      2.1000000E-01          1.0000000        
G   1
  1      8.6590000E-01          1.0000000        
G   1
  1      3.8500000E-01          1.0000000        
H   1
  1      7.2350000E-01          1.0000000        


name: cc-pV5Z(fi/sf/fw)
description: V5Z4P Relativistic Valence Quintuple Zeta + Polarization
elt: Br
data:
BROMINE
S   22
  1      1.6573515E+08          9.34437575233E-06      
  2      2.4774379E+07          4.31772904990E-05      
  3      5.6282020E+06          1.04874659787E-04      
  4      1.5918997E+06          2.37078541362E-04      
  5      5.1826380E+05          5.02622570578E-04      
  6      1.8649092E+05          1.07973862224E-03      
  7      7.2332493E+04          2.37052607746E-03      
  8      2.9761135E+04          5.39324832745E-03      
  9      1.2851712E+04          1.24414749297E-02      
 10      5.7809430E+03          2.83502231869E-02      
 11      2.6950098E+03          6.16462448433E-02      
 12      1.2976604E+03          1.23136771913E-01      
 13      6.4363493E+02          2.13522318025E-01      
 14      3.2795194E+02          2.92797472451E-01      
 15      1.7092262E+02          2.69679785452E-01      
 16      9.0250141E+01          1.28730080284E-01      
 17      4.6292467E+01          1.93819513376E-02      
 18      2.4848661E+01         -8.42910782510E-05      
 19      1.3347137E+01          3.95457814067E-04      
 20      6.9482580E+00         -2.21848810749E-04      
 21      3.6250750E+00          5.73126285223E-05      
 22      1.8821530E+00         -5.61291032326E-05      
S   22
  1      1.6573515E+08         -3.05445717025E-06      
  2      2.4774379E+07         -1.40800323083E-05      
  3      5.6282020E+06         -3.42603898531E-05      
  4      1.5918997E+06         -7.73119636448E-05      
  5      5.1826380E+05         -1.64049642013E-04      
  6      1.8649092E+05         -3.51279223851E-04      
  7      7.2332493E+04         -7.72621669430E-04      
  8      2.9761135E+04         -1.75950767421E-03      
  9      1.2851712E+04         -4.09793711913E-03      
 10      5.7809430E+03         -9.46688220346E-03      
 11      2.6950098E+03         -2.12169880917E-02      
 12      1.2976604E+03         -4.46366454440E-02      
 13      6.4363493E+02         -8.57122733372E-02      
 14      3.2795194E+02         -1.40352055150E-01      
 15      1.7092262E+02         -1.72191187242E-01      
 16      9.0250141E+01         -7.87339199152E-02      
 17      4.6292467E+01          2.31247198912E-01      
 18      2.4848661E+01          5.14400560912E-01      
 19      1.3347137E+01          3.58793407078E-01      
 20      6.9482580E+00          7.31138005976E-02      
 21      3.6250750E+00          2.96137451269E-03      
 22      1.8821530E+00          1.36525405786E-03      
S   22
  1      1.6573515E+08          1.21908374879E-06      
  2      2.4774379E+07          5.61361248577E-06      
  3      5.6282020E+06          1.36827886467E-05      
  4      1.5918997E+06          3.08433425326E-05      
  5      5.1826380E+05          6.56183086570E-05      
  6      1.8649092E+05          1.40276444781E-04      
  7      7.2332493E+04          3.09273427415E-04      
  8      2.9761135E+04          7.03084742696E-04      
  9      1.2851712E+04          1.64123901926E-03      
 10      5.7809430E+03          3.79226421195E-03      
 11      2.6950098E+03          8.53856534983E-03      
 12      1.2976604E+03          1.80670273910E-02      
 13      6.4363493E+02          3.52060978676E-02      
 14      3.2795194E+02          5.90538234510E-02      
 15      1.7092262E+02          7.57992009270E-02      
 16      9.0250141E+01          3.61881965892E-02      
 17      4.6292467E+01         -1.29854761953E-01      
 18      2.4848661E+01         -3.87652488958E-01      
 19      1.3347137E+01         -3.63530938256E-01      
 20      6.9482580E+00          1.60909432626E-01      
 21      3.6250750E+00          6.47980686099E-01      
 22      1.8821530E+00          4.43567915165E-01      
S   22
  1      1.6573515E+08         -3.75023882550E-07      
  2      2.4774379E+07         -1.72624174395E-06      
  3      5.6282020E+06         -4.20864028238E-06      
  4      1.5918997E+06         -9.48202207385E-06      
  5      5.1826380E+05         -2.01809994544E-05      
  6      1.8649092E+05         -4.31118677459E-05      
  7      7.2332493E+04         -9.51119628282E-05      
  8      2.9761135E+04         -2.16077572855E-04      
  9      1.2851712E+04         -5.04924503512E-04      
 10      5.7809430E+03         -1.16607031622E-03      
 11      2.6950098E+03         -2.62882180141E-03      
 12      1.2976604E+03         -5.56367905896E-03      
 13      6.4363493E+02         -1.08778401892E-02      
 14      3.2795194E+02         -1.82867442825E-02      
 15      1.7092262E+02         -2.36935038451E-02      
 16      9.0250141E+01         -1.13095797799E-02      
 17      4.6292467E+01          4.18852847623E-02      
 18      2.4848661E+01          1.32470448054E-01      
 19      1.3347137E+01          1.28123462001E-01      
 20      6.9482580E+00         -6.68277386660E-02      
 21      3.6250750E+00         -3.16180151814E-01      
 22      1.8821530E+00         -3.93796810093E-01      
S   1
  1      9.1082200E-01          1.0000000        
S   1
  1      4.6395700E-01          1.0000000        
S   1
  1      2.1693300E-01          1.0000000        
S   1
  1      9.8406000E-02          1.0000000        
P   13
  1      3.9391530E+04          1.42970877973E-04      
  2      9.3252225E+03          5.02098079343E-04      
  3      3.0289943E+03          2.21958744955E-03      
  4      1.1595145E+03          8.49298068952E-03      
  5      4.9268131E+02          2.87026959717E-02      
  6      2.2517451E+02          8.13759916966E-02      
  7      1.0859326E+02          1.84883604382E-01      
  8      5.4336079E+01          3.12080899553E-01      
  9      2.7936650E+01          3.41651032233E-01      
 10      1.4539626E+01          1.89810987821E-01      
 11      7.4213070E+00          3.88692291899E-02      
 12      3.7303890E+00          2.18401461185E-03      
 13      1.8541270E+00          6.64929495179E-04      
P   13
  1      3.9391530E+04         -5.75357102050E-05      
  2      9.3252225E+03         -2.02363912247E-04      
  3      3.0289943E+03         -8.99181419231E-04      
  4      1.1595145E+03         -3.46065161615E-03      
  5      4.9268131E+02         -1.18555529817E-02      
  6      2.2517451E+02         -3.44396967506E-02      
  7      1.0859326E+02         -8.14344435351E-02      
  8      5.4336079E+01         -1.44588577417E-01      
  9      2.7936650E+01         -1.62897278427E-01      
 10      1.4539626E+01         -2.98053575357E-03      
 11      7.4213070E+00          3.11329702796E-01      
 12      3.7303890E+00          4.79467073712E-01      
 13      1.8541270E+00          2.87298882817E-01      
P   13
  1      3.9391530E+04          1.48747435304E-05      
  2      9.3252225E+03          5.22014034465E-05      
  3      3.0289943E+03          2.32742325562E-04      
  4      1.1595145E+03          8.93969898100E-04      
  5      4.9268131E+02          3.07620384420E-03      
  6      2.2517451E+02          8.93885396308E-03      
  7      1.0859326E+02          2.13157201388E-02      
  8      5.4336079E+01          3.79576333792E-02      
  9      2.7936650E+01          4.32969913681E-02      
 10      1.4539626E+01         -4.54715293340E-03      
 11      7.4213070E+00         -9.96893444709E-02      
 12      3.7303890E+00         -1.68959892520E-01      
 13      1.8541270E+00         -1.06621180598E-01      
P   1
  1      8.4533700E-01          1.0000000        
P   1
  1      3.9215200E-01          1.0000000        
P   1
  1      1.7276700E-01          1.0000000        
P   1
  1      7.2908000E-02          1.0000000        
D   9
  1      1.8506354E+03          6.90533507275E-05      
  2      5.5707125E+02          5.92903393219E-04      
  3      2.1648687E+02          3.45029271129E-03      
  4      9.6138850E+01          1.45989358368E-02      
  5      4.6126380E+01          4.62514316615E-02      
  6      2.3201164E+01          1.14489115489E-01      
  7      1.2055926E+01          2.13518296857E-01      
  8      6.3255450E+00          2.94073419526E-01      
  9      3.3049220E+00          3.03787453024E-01      
D   1
  1      1.7042530E+00          1.0000000        
D   1
  1      8.3994000E-01          1.0000000        
D   1
  1      3.5695300E-01          1.0000000        
D   1
  1      1.5200000E-01          1.0000000        
F   1
  1      9.6270000E-01          1.0000000        
F   1
  1      4.9550000E-01          1.0000000        
F   1
  1      2.5500000E-01          1.0000000        
G   1
  1      9.7680000E-01          1.0000000        
G   1
  1      4.3900000E-01          1.0000000        
H   1
  1      8.1930000E-01          1.0000000        


name: cc-pV5Z(fi/sf/fw)
description: V5Z4P Relativistic Valence Quintuple Zeta + Polarization
elt: Kr
data:
KRYPTON
S   22
  1      1.8282209E+08          9.08240162591E-06      
  2      2.7356156E+07          4.42348233195E-05      
  3      6.2211704E+06          1.07631487042E-04      
  4      1.7602779E+06          2.42661646616E-04      
  5      5.7319382E+05          5.10779194431E-04      
  6      2.0625845E+05          1.08603262058E-03      
  7      8.0026669E+04          2.35119167349E-03      
  8      3.2939084E+04          5.27929545574E-03      
  9      1.4222633E+04          1.20622079551E-02      
 10      6.3930707E+03          2.73568985084E-02      
 11      2.9764538E+03          5.94787172546E-02      
 12      1.4305254E+03          1.19309855900E-01      
 13      7.0792621E+02          2.08758993235E-01      
 14      3.5984847E+02          2.90666271174E-01      
 15      1.8714965E+02          2.74523160425E-01      
 16      9.8634523E+01          1.36406660557E-01      
 17      5.0547869E+01          2.18342140435E-02      
 18      2.7167004E+01         -1.58098556414E-04      
 19      1.4615098E+01          4.83405215239E-04      
 20      7.6513520E+00         -2.68954902654E-04      
 21      3.9972630E+00          8.17728778489E-05      
 22      2.0858530E+00         -7.14699979047E-05      
S   22
  1      1.8282209E+08         -2.98372264170E-06      
  2      2.7356156E+07         -1.44913132087E-05      
  3      6.2211704E+06         -3.53279935484E-05      
  4      1.7602779E+06         -7.95239722006E-05      
  5      5.7319382E+05         -1.67591246564E-04      
  6      2.0625845E+05         -3.55267085452E-04      
  7      8.0026669E+04         -7.70569757277E-04      
  8      3.2939084E+04         -1.73127810808E-03      
  9      1.4222633E+04         -3.99206336774E-03      
 10      6.3930707E+03         -9.17292557475E-03      
 11      2.9764538E+03         -2.05356580452E-02      
 12      1.4305254E+03         -4.33074411404E-02      
 13      7.0792621E+02         -8.36379861401E-02      
 14      3.5984847E+02         -1.38331824018E-01      
 15      1.8714965E+02         -1.73132479805E-01      
 16      9.8634523E+01         -8.72123875705E-02      
 17      5.0547869E+01          2.16001218361E-01      
 18      2.7167004E+01          5.10121712262E-01      
 19      1.4615098E+01          3.71742358683E-01      
 20      7.6513520E+00          8.06149917115E-02      
 21      3.9972630E+00          3.52332854220E-03      
 22      2.0858530E+00          1.37692191541E-03      
S   22
  1      1.8282209E+08          1.20230743608E-06      
  2      2.7356156E+07          5.83325372318E-06      
  3      6.2211704E+06          1.42430899388E-05      
  4      1.7602779E+06          3.20306728700E-05      
  5      5.7319382E+05          6.76683503132E-05      
  6      2.0625845E+05          1.43240663605E-04      
  7      8.0026669E+04          3.11408199898E-04      
  8      3.2939084E+04          6.98554687884E-04      
  9      1.4222633E+04          1.61422040978E-03      
 10      6.3930707E+03          3.71009144126E-03      
 11      2.9764538E+03          8.34231359398E-03      
 12      1.4305254E+03          1.76938136464E-02      
 13      7.0792621E+02          3.46581918060E-02      
 14      3.5984847E+02          5.87027949902E-02      
 15      1.8714965E+02          7.67781580853E-02      
 16      9.8634523E+01          4.05217768981E-02      
 17      5.0547869E+01         -1.22182402789E-01      
 18      2.7167004E+01         -3.83744091127E-01      
 19      1.4615098E+01         -3.79204528712E-01      
 20      7.6513520E+00          1.37171750633E-01      
 21      3.9972630E+00          6.52151818831E-01      
 22      2.0858530E+00          4.56857499263E-01      
S   22
  1      1.8282209E+08         -3.84196969202E-07      
  2      2.7356156E+07         -1.86300534858E-06      
  3      6.2211704E+06         -4.55081460069E-06      
  4      1.7602779E+06         -1.02267578341E-05      
  5      5.7319382E+05         -2.16196213804E-05      
  6      2.0625845E+05         -4.57191170616E-05      
  7      8.0026669E+04         -9.94902298626E-05      
  8      3.2939084E+04         -2.22953053209E-04      
  9      1.4222633E+04         -5.15899203660E-04      
 10      6.3930707E+03         -1.18475440157E-03      
 11      2.9764538E+03         -2.66812025324E-03      
 12      1.4305254E+03         -5.65833086671E-03      
 13      7.0792621E+02         -1.11253950281E-02      
 14      3.5984847E+02         -1.88753075225E-02      
 15      1.8714965E+02         -2.49429084117E-02      
 16      9.8634523E+01         -1.31402182953E-02      
 17      5.0547869E+01          4.08832865024E-02      
 18      2.7167004E+01          1.36489941688E-01      
 19      1.4615098E+01          1.39051914596E-01      
 20      7.6513520E+00         -5.87447558457E-02      
 21      3.9972630E+00         -3.34570407359E-01      
 22      2.0858530E+00         -4.20227570698E-01      
S   1
  1      1.0147970E+00          1.0000000        
S   1
  1      5.1978800E-01          1.0000000        
S   1
  1      2.4510300E-01          1.0000000        
S   1
  1      1.1189600E-01          1.0000000        
P   13
  1      4.2993056E+04          1.46328656953E-04      
  2      1.0173723E+04          4.98512332158E-04      
  3      3.3031057E+03          2.17104787347E-03      
  4      1.2635400E+03          8.24541307286E-03      
  5      5.3636546E+02          2.78724106670E-02      
  6      2.4487617E+02          7.93185217694E-02      
  7      1.1799117E+02          1.81484872056E-01      
  8      5.9021248E+01          3.09233033319E-01      
  9      3.0356067E+01          3.43165812346E-01      
 10      1.5819977E+01          1.94829336265E-01      
 11      8.1045800E+00          4.13365778325E-02      
 12      4.0979640E+00          2.33131073095E-03      
 13      2.0560610E+00          6.72892635043E-04      
P   13
  1      4.2993056E+04         -5.96787467940E-05      
  2      1.0173723E+04         -2.03651083885E-04      
  3      3.3031057E+03         -8.91394263520E-04      
  4      1.2635400E+03         -3.40549797825E-03      
  5      5.3636546E+02         -1.16660963967E-02      
  6      2.4487617E+02         -3.40124768723E-02      
  7      1.1799117E+02         -8.09750379088E-02      
  8      5.9021248E+01         -1.45183219501E-01      
  9      3.0356067E+01         -1.66099189310E-01      
 10      1.5819977E+01         -9.34219697713E-03      
 11      8.1045800E+00          3.07123030022E-01      
 12      4.0979640E+00          4.82751270666E-01      
 13      2.0560610E+00          2.89250026388E-01      
P   13
  1      4.2993056E+04          1.62075068792E-05      
  2      1.0173723E+04          5.51699444455E-05      
  3      3.3031057E+03          2.42401791848E-04      
  4      1.2635400E+03          9.23941132676E-04      
  5      5.3636546E+02          3.18049126396E-03      
  6      2.4487617E+02          9.27341600500E-03      
  7      1.1799117E+02          2.22786851647E-02      
  8      5.9021248E+01          4.00573341087E-02      
  9      3.0356067E+01          4.64679316879E-02      
 10      1.5819977E+01         -3.16196474981E-03      
 11      8.1045800E+00         -1.04236182213E-01      
 12      4.0979640E+00         -1.81979101703E-01      
 13      2.0560610E+00         -1.11472319403E-01      
P   1
  1      9.5214500E-01          1.0000000        
P   1
  1      4.4477400E-01          1.0000000        
P   1
  1      1.9749600E-01          1.0000000        
P   1
  1      8.3823000E-02          1.0000000        
D   9
  1      2.0674360E+03          6.52999587520E-05      
  2      6.2569371E+02          5.48340146739E-04      
  3      2.4394679E+02          3.18218813244E-03      
  4      1.0842373E+02          1.36201831875E-02      
  5      5.2005216E+01          4.39908095133E-02      
  6      2.6115405E+01          1.11233749206E-01      
  7      1.3546748E+01          2.12068984795E-01      
  8      7.1058100E+00          2.96652738152E-01      
  9      3.7215540E+00          3.07600899423E-01      
D   1
  1      1.9291200E+00          1.0000000        
D   1
  1      9.5582600E-01          1.0000000        
D   1
  1      4.0519700E-01          1.0000000        
D   1
  1      1.7410000E-01          1.0000000        
F   1
  1      1.0940000E+00          1.0000000        
F   1
  1      5.8700000E-01          1.0000000        
F   1
  1      3.1500000E-01          1.0000000        
G   1
  1      1.1040000E+00          1.0000000        
G   1
  1      5.0100000E-01          1.0000000        
H   1
  1      9.3030000E-01          1.0000000        


name: cc-pV5Z(fi/sf/lc)
description: V5Z4P Relativistic Valence Quintuple Zeta + Polarization
elt: H
data:
HYDROGEN
S   4
  1      4.0200000E+02          2.79716920747E-04      
  2      6.0240000E+01          2.16631832037E-03      
  3      1.3730000E+01          1.12037816272E-02      
  4      3.9050000E+00          4.48824001150E-02      
S   1
  1      1.2830000E+00          1.0000000        
S   1
  1      4.6550000E-01          1.0000000        
S   1
  1      1.8110000E-01          1.0000000        
S   1
  1      7.2790000E-02          1.0000000        
P   1
  1      4.5160000E+00          1.0000000        
P   1
  1      1.7120000E+00          1.0000000        
P   1
  1      6.4900000E-01          1.0000000        
P   1
  1      2.4600000E-01          1.0000000        
D   1
  1      2.9500000E+00          1.0000000        
D   1
  1      1.2060000E+00          1.0000000        
D   1
  1      4.9300000E-01          1.0000000        
F   1
  1      8.7500000E-01          1.0000000        
F   1
  1      2.5060000E+00          1.0000000        
G   1
  1      2.3580000E+00          1.0000000        


name: cc-pV5Z(fi/sf/lc)
description: V5Z4P Relativistic Valence Quintuple Zeta + Polarization
elt: He
data:
HELIUM
S   4
  1      1.1450000E+03          3.59818631436E-04      
  2      1.7170000E+02          2.77464365666E-03      
  3      3.9070000E+01          1.42597781952E-02      
  4      1.1040000E+01          5.55816753834E-02      
S   1
  1      3.5660000E+00          1.0000000        
S   1
  1      1.2400000E+00          1.0000000        
S   1
  1      4.4730000E-01          1.0000000        
S   1
  1      1.6400000E-01          1.0000000        
P   1
  1      1.0153000E+01          1.0000000        
P   1
  1      3.6270000E+00          1.0000000        
P   1
  1      1.2960000E+00          1.0000000        
P   1
  1      4.6300000E-01          1.0000000        
D   1
  1      7.6660000E+00          1.0000000        
D   1
  1      2.6470000E+00          1.0000000        
D   1
  1      9.1400000E-01          1.0000000        
F   1
  1      5.4110000E+00          1.0000000        
F   1
  1      1.7070000E+00          1.0000000        
G   1
  1      3.4300000E+00          1.0000000        


name: cc-pV5Z(fi/sf/lc)
description: V5Z4P Relativistic Valence Quintuple Zeta + Polarization
elt: B
data:
BORON
S   10
  1      6.8260000E+04          2.53904849470E-05      
  2      1.0230000E+04          1.89449940913E-04      
  3      2.3280000E+03          9.82329145604E-04      
  4      6.6040000E+02          4.08392006817E-03      
  5      2.1620000E+02          1.44550989295E-02      
  6      7.8600000E+01          4.39950481610E-02      
  7      3.0980000E+01          1.13172432569E-01      
  8      1.2960000E+01          2.33891008125E-01      
  9      5.6590000E+00          3.53871517346E-01      
 10      2.5560000E+00          3.01330305542E-01      
S   10
  1      6.8260000E+04         -5.12478778304E-06      
  2      1.0230000E+04         -3.83533604915E-05      
  3      2.3280000E+03         -1.98172686001E-04      
  4      6.6040000E+02         -8.30323191855E-04      
  5      2.1620000E+02         -2.93603688085E-03      
  6      7.8600000E+01         -9.16316970505E-03      
  7      3.0980000E+01         -2.41437706645E-02      
  8      1.2960000E+01         -5.48021026648E-02      
  9      5.6590000E+00         -9.69609651140E-02      
 10      2.5560000E+00         -1.37447821312E-01      
S   1
  1      1.1750000E+00          1.0000000        
S   1
  1      4.2490000E-01          1.0000000        
S   1
  1      1.7120000E-01          1.0000000        
S   1
  1      6.9130000E-02          1.0000000        
P   4
  1      6.6440000E+01          8.43814242992E-04      
  2      1.5710000E+01          6.41745121142E-03      
  3      4.9360000E+00          2.80895485612E-02      
  4      1.7700000E+00          9.21475158363E-02      
P   1
  1      7.0080000E-01          1.0000000        
P   1
  1      2.9010000E-01          1.0000000        
P   1
  1      1.2110000E-01          1.0000000        
P   1
  1      4.9730000E-02          1.0000000        
D   1
  1      2.0100000E+00          1.0000000        
D   1
  1      7.9600000E-01          1.0000000        
D   1
  1      3.1600000E-01          1.0000000        
D   1
  1      1.2500000E-01          1.0000000        
F   1
  1      1.2150000E+00          1.0000000        
F   1
  1      5.2500000E-01          1.0000000        
F   1
  1      2.2700000E-01          1.0000000        
G   1
  1      1.1240000E+00          1.0000000        
G   1
  1      4.6100000E-01          1.0000000        
H   1
  1      8.3400000E-01          1.0000000        


name: cc-pV5Z(fi/sf/lc)
description: V5Z4P Relativistic Valence Quintuple Zeta + Polarization
elt: C
data:
CARBON
S   10
  1      9.6770000E+04          2.68828071338E-05      
  2      1.4500000E+04          1.97330516853E-04      
  3      3.3000000E+03          1.01794344181E-03      
  4      9.3580000E+02          4.22507611988E-03      
  5      3.0620000E+02          1.49436098485E-02      
  6      1.1130000E+02          4.54430604934E-02      
  7      4.3900000E+01          1.16679601673E-01      
  8      1.8400000E+01          2.40353736567E-01      
  9      8.0540000E+00          3.58683495939E-01      
 10      3.6370000E+00          2.93648842762E-01      
S   10
  1      9.6770000E+04         -5.74318064328E-06      
  2      1.4500000E+04         -4.22629017325E-05      
  3      3.3000000E+03         -2.17428393767E-04      
  4      9.3580000E+02         -9.08761563685E-04      
  5      3.0620000E+02         -3.21666168077E-03      
  6      1.1130000E+02         -1.00267917872E-02      
  7      4.3900000E+01         -2.65074121452E-02      
  8      1.8400000E+01         -6.02323070180E-02      
  9      8.0540000E+00         -1.07171940034E-01      
 10      3.6370000E+00         -1.44537931506E-01      
S   1
  1      1.6560000E+00          1.0000000        
S   1
  1      6.3330000E-01          1.0000000        
S   1
  1      2.5450000E-01          1.0000000        
S   1
  1      1.0190000E-01          1.0000000        
P   4
  1      1.0180000E+02          8.92923874473E-04      
  2      2.4040000E+01          6.93856263251E-03      
  3      7.5710000E+00          3.14711442874E-02      
  4      2.7320000E+00          1.03518254995E-01      
P   1
  1      1.0850000E+00          1.0000000        
P   1
  1      4.4960000E-01          1.0000000        
P   1
  1      1.8760000E-01          1.0000000        
P   1
  1      7.6060000E-02          1.0000000        
D   1
  1      3.1340000E+00          1.0000000        
D   1
  1      1.2330000E+00          1.0000000        
D   1
  1      4.8500000E-01          1.0000000        
D   1
  1      1.9100000E-01          1.0000000        
F   1
  1      2.0060000E+00          1.0000000        
F   1
  1      8.3800000E-01          1.0000000        
F   1
  1      3.5000000E-01          1.0000000        
G   1
  1      1.7530000E+00          1.0000000        
G   1
  1      6.7800000E-01          1.0000000        
H   1
  1      1.2590000E+00          1.0000000        


name: cc-pV5Z(fi/sf/lc)
description: V5Z4P Relativistic Valence Quintuple Zeta + Polarization
elt: N
data:
NITROGEN
S   10
  1      1.2920000E+05          2.86096360557E-05      
  2      1.9350000E+04          2.06207330545E-04      
  3      4.4040000E+03          1.05794748730E-03      
  4      1.2480000E+03          4.38310858915E-03      
  5      4.0800000E+02          1.54989916913E-02      
  6      1.4820000E+02          4.70671646171E-02      
  7      5.8500000E+01          1.20363873405E-01      
  8      2.4590000E+01          2.45842679509E-01      
  9      1.0810000E+01          3.61227676488E-01      
 10      4.8820000E+00          2.86888256183E-01      
S   10
  1      1.2920000E+05         -6.34088060192E-06      
  2      1.9350000E+04         -4.57951982134E-05      
  3      4.4040000E+03         -2.34503624700E-04      
  4      1.2480000E+03         -9.77520687447E-04      
  5      4.0800000E+02         -3.46507334756E-03      
  6      1.4820000E+02         -1.07808361383E-02      
  7      5.8500000E+01         -2.85205804749E-02      
  8      2.4590000E+01         -6.44615898068E-02      
  9      1.0810000E+01         -1.14649018295E-01      
 10      4.8820000E+00         -1.47767101015E-01      
S   1
  1      2.1950000E+00          1.0000000        
S   1
  1      8.7150000E-01          1.0000000        
S   1
  1      3.5040000E-01          1.0000000        
S   1
  1      1.3970000E-01          1.0000000        
P   4
  1      1.4700000E+02          8.94929188218E-04      
  2      3.4760000E+01          7.03387563760E-03      
  3      1.1000000E+01          3.25594136334E-02      
  4      3.9950000E+00          1.07630160842E-01      
P   1
  1      1.5870000E+00          1.0000000        
P   1
  1      6.5330000E-01          1.0000000        
P   1
  1      2.6860000E-01          1.0000000        
P   1
  1      1.0670000E-01          1.0000000        
D   1
  1      4.6470000E+00          1.0000000        
D   1
  1      1.8130000E+00          1.0000000        
D   1
  1      7.0700000E-01          1.0000000        
D   1
  1      2.7600000E-01          1.0000000        
F   1
  1      2.9420000E+00          1.0000000        
F   1
  1      1.2040000E+00          1.0000000        
F   1
  1      4.9300000E-01          1.0000000        
G   1
  1      2.5110000E+00          1.0000000        
G   1
  1      9.4200000E-01          1.0000000        
H   1
  1      1.7680000E+00          1.0000000        


name: cc-pV5Z(fi/sf/lc)
description: V5Z4P Relativistic Valence Quintuple Zeta + Polarization
elt: O
data:
OXYGEN
S   10
  1      1.6420000E+05          3.07617627220E-05      
  2      2.4590000E+04          2.17539178991E-04      
  3      5.5920000E+03          1.11035686965E-03      
  4      1.5820000E+03          4.60006602832E-03      
  5      5.1610000E+02          1.62666307669E-02      
  6      1.8720000E+02          4.93497691709E-02      
  7      7.3930000E+01          1.25175159918E-01      
  8      3.1220000E+01          2.51843325819E-01      
  9      1.3810000E+01          3.62126187075E-01      
 10      6.2560000E+00          2.78472101806E-01      
S   10
  1      1.6420000E+05         -6.99753515106E-06      
  2      2.4590000E+04         -4.95663904649E-05      
  3      5.5920000E+03         -2.52677600392E-04      
  4      1.5820000E+03         -1.05254772782E-03      
  5      5.1610000E+02         -3.73668355141E-03      
  6      1.8720000E+02         -1.16128291100E-02      
  7      7.3930000E+01         -3.06080142695E-02      
  8      3.1220000E+01         -6.83875219936E-02      
  9      1.3810000E+01         -1.20608198484E-01      
 10      6.2560000E+00         -1.48206870140E-01      
S   1
  1      2.7760000E+00          1.0000000        
S   1
  1      1.1380000E+00          1.0000000        
S   1
  1      4.6000000E-01          1.0000000        
S   1
  1      1.8290000E-01          1.0000000        
P   4
  1      1.9550000E+02          9.34401229874E-04      
  2      4.6160000E+01          7.41114006660E-03      
  3      1.4580000E+01          3.49708643432E-02      
  4      5.2960000E+00          1.15370252678E-01      
P   1
  1      2.0940000E+00          1.0000000        
P   1
  1      8.4710000E-01          1.0000000        
P   1
  1      3.3680000E-01          1.0000000        
P   1
  1      1.2850000E-01          1.0000000        
D   1
  1      5.8790000E+00          1.0000000        
D   1
  1      2.3070000E+00          1.0000000        
D   1
  1      9.0500000E-01          1.0000000        
D   1
  1      3.5500000E-01          1.0000000        
F   1
  1      4.0160000E+00          1.0000000        
F   1
  1      1.5540000E+00          1.0000000        
F   1
  1      6.0100000E-01          1.0000000        
G   1
  1      3.3500000E+00          1.0000000        
G   1
  1      1.1890000E+00          1.0000000        
H   1
  1      2.3190000E+00          1.0000000        


name: cc-pV5Z(fi/sf/lc)
description: V5Z4P Relativistic Valence Quintuple Zeta + Polarization
elt: F
data:
FLUORINE
S   10
  1      2.1140000E+05          3.14490761215E-05      
  2      3.1660000E+04          2.17373896406E-04      
  3      7.2020000E+03          1.09950424279E-03      
  4      2.0400000E+03          4.53051865142E-03      
  5      6.6640000E+02          1.59650581767E-02      
  6      2.4200000E+02          4.84446272110E-02      
  7      9.5530000E+01          1.23637196026E-01      
  8      4.0230000E+01          2.51720545971E-01      
  9      1.7720000E+01          3.64128220452E-01      
 10      8.0050000E+00          2.79011552531E-01      
S   10
  1      2.1140000E+05         -7.29407078419E-06      
  2      3.1660000E+04         -5.04976934099E-05      
  3      7.2020000E+03         -2.55128473224E-04      
  4      2.0400000E+03         -1.05692501764E-03      
  5      6.6640000E+02         -3.73966615680E-03      
  6      2.4200000E+02         -1.16226802290E-02      
  7      9.5530000E+01         -3.08404235056E-02      
  8      4.0230000E+01         -6.97835054981E-02      
  9      1.7720000E+01         -1.24086190904E-01      
 10      8.0050000E+00         -1.49841685002E-01      
S   1
  1      3.5380000E+00          1.0000000        
S   1
  1      1.4580000E+00          1.0000000        
S   1
  1      5.8870000E-01          1.0000000        
S   1
  1      2.3240000E-01          1.0000000        
P   4
  1      2.4190000E+02          1.02650908485E-03      
  2      5.7170000E+01          8.10699117040E-03      
  3      1.8130000E+01          3.81452267188E-02      
  4      6.6240000E+00          1.23870714561E-01      
P   1
  1      2.6220000E+00          1.0000000        
P   1
  1      1.0570000E+00          1.0000000        
P   1
  1      4.1760000E-01          1.0000000        
P   1
  1      1.5740000E-01          1.0000000        
D   1
  1      7.7600000E+00          1.0000000        
D   1
  1      3.0320000E+00          1.0000000        
D   1
  1      1.1850000E+00          1.0000000        
D   1
  1      4.6300000E-01          1.0000000        
F   1
  1      5.3980000E+00          1.0000000        
F   1
  1      2.0780000E+00          1.0000000        
F   1
  1      8.0000000E-01          1.0000000        
G   1
  1      4.3380000E+00          1.0000000        
G   1
  1      1.5130000E+00          1.0000000        
H   1
  1      2.9950000E+00          1.0000000        


name: cc-pV5Z(fi/sf/lc)
description: V5Z4P Relativistic Valence Quintuple Zeta + Polarization
elt: Ne
data:
NEON
S   10
  1      2.6270000E+05          3.26401283948E-05      
  2      3.9350000E+04          2.20056761315E-04      
  3      8.9550000E+03          1.10370608830E-03      
  4      2.5380000E+03          4.52080759555E-03      
  5      8.2990000E+02          1.58945310444E-02      
  6      3.0150000E+02          4.81700122007E-02      
  7      1.1900000E+02          1.23448559934E-01      
  8      5.0000000E+01          2.52736531717E-01      
  9      2.1980000E+01          3.65811574949E-01      
 10      9.8910000E+00          2.78675746272E-01      
S   10
  1      2.6270000E+05         -7.68684411311E-06      
  2      3.9350000E+04         -5.18961939248E-05      
  3      8.9550000E+03         -2.60098728870E-04      
  4      2.5380000E+03         -1.07056995306E-03      
  5      8.2990000E+02         -3.78213995551E-03      
  6      3.0150000E+02         -1.17312860031E-02      
  7      1.1900000E+02         -3.13125855967E-02      
  8      5.0000000E+01         -7.12439924460E-02      
  9      2.1980000E+01         -1.27387236479E-01      
 10      9.8910000E+00         -1.50724222568E-01      
S   1
  1      4.3270000E+00          1.0000000        
S   1
  1      1.8040000E+00          1.0000000        
S   1
  1      7.2880000E-01          1.0000000        
S   1
  1      2.8670000E-01          1.0000000        
P   4
  1      2.9910000E+02          1.07025619022E-03      
  2      7.0730000E+01          8.44508838719E-03      
  3      2.2480000E+01          3.98253413743E-02      
  4      8.2460000E+00          1.28182315069E-01      
P   1
  1      3.2690000E+00          1.0000000        
P   1
  1      1.3150000E+00          1.0000000        
P   1
  1      5.1580000E-01          1.0000000        
P   1
  1      1.9180000E-01          1.0000000        
D   1
  1      9.8370000E+00          1.0000000        
D   1
  1      3.8440000E+00          1.0000000        
D   1
  1      1.5020000E+00          1.0000000        
D   1
  1      5.8700000E-01          1.0000000        
F   1
  1      7.0900000E+00          1.0000000        
F   1
  1      2.7380000E+00          1.0000000        
F   1
  1      1.0570000E+00          1.0000000        
G   1
  1      5.4600000E+00          1.0000000        
G   1
  1      1.8800000E+00          1.0000000        
H   1
  1      3.7760000E+00          1.0000000        


name: cc-pV5Z(fi/sf/lc)
description: V5Z4P Relativistic Valence Quintuple Zeta + Polarization
elt: Al
data:
ALUMINUM
S   16
  1      3.2690000E+06          4.72062065135E-06      
  2      4.8940000E+05          2.40643515715E-05      
  3      1.1140000E+05          1.07086558371E-04      
  4      3.1560000E+04          4.13723807357E-04      
  5      1.0320000E+04          1.43493095986E-03      
  6      3.7310000E+03          4.54695224615E-03      
  7      1.4560000E+03          1.32460932526E-02      
  8      6.0410000E+02          3.53921463234E-02      
  9      2.6350000E+02          8.51144146297E-02      
 10      1.1980000E+02          1.76551724727E-01      
 11      5.6320000E+01          2.91961534031E-01      
 12      2.7190000E+01          3.26949611559E-01      
 13      1.3260000E+01          1.85671220577E-01      
 14      6.0520000E+00          3.07576352071E-02      
 15      2.9810000E+00         -4.99343045885E-04      
 16      1.4760000E+00          1.47354051235E-03      
S   16
  1      3.2690000E+06         -1.23249042547E-06      
  2      4.8940000E+05         -6.28879419020E-06      
  3      1.1140000E+05         -2.79790096354E-05      
  4      3.1560000E+04         -1.08251186421E-04      
  5      1.0320000E+04         -3.75451353208E-04      
  6      3.7310000E+03         -1.19496028499E-03      
  7      1.4560000E+03         -3.49929852587E-03      
  8      6.0410000E+02         -9.52153813154E-03      
  9      2.6350000E+02         -2.36382375637E-02      
 10      1.1980000E+02         -5.28067053900E-02      
 11      5.6320000E+01         -1.00326779137E-01      
 12      2.7190000E+01         -1.50404190625E-01      
 13      1.3260000E+01         -1.17518015240E-01      
 14      6.0520000E+00          1.10615707612E-01      
 15      2.9810000E+00          4.12191037860E-01      
 16      1.4760000E+00          4.55687816831E-01      
S   16
  1      3.2690000E+06          2.84678778154E-07      
  2      4.8940000E+05          1.45162065589E-06      
  3      1.1140000E+05          6.46623357042E-06      
  4      3.1560000E+04          2.49759214005E-05      
  5      1.0320000E+04          8.68300014835E-05      
  6      3.7310000E+03          2.75628720159E-04      
  7      1.4560000E+03          8.10388764090E-04      
  8      6.0410000E+02          2.19848763591E-03      
  9      2.6350000E+02          5.50003062052E-03      
 10      1.1980000E+02          1.22762340437E-02      
 11      5.6320000E+01          2.37834318026E-02      
 12      2.7190000E+01          3.60484865755E-02      
 13      1.3260000E+01          2.99469169047E-02      
 14      6.0520000E+00         -3.17211592799E-02      
 15      2.9810000E+00         -1.19488737128E-01      
 16      1.4760000E+00         -2.11596151984E-01      
S   1
  1      7.3340000E-01          1.0000000        
S   1
  1      2.4470000E-01          1.0000000        
S   1
  1      1.0880000E-01          1.0000000        
S   1
  1      4.6720000E-02          1.0000000        
P   8
  1      1.4610000E+03          2.35640722348E-04      
  2      3.4620000E+02          1.87178415281E-03      
  3      1.1220000E+02          9.88447336726E-03      
  4      4.2510000E+01          3.80783035239E-02      
  5      1.7720000E+01          1.11216697830E-01      
  6      7.8520000E+00          2.34424686678E-01      
  7      3.5710000E+00          3.45087792405E-01      
  8      1.6370000E+00          3.31072888462E-01      
P   8
  1      1.4610000E+03         -4.20237414212E-05      
  2      3.4620000E+02         -3.39452305394E-04      
  3      1.1220000E+02         -1.76851521350E-03      
  4      4.2510000E+01         -6.98906451381E-03      
  5      1.7720000E+01         -2.03228996012E-02      
  6      7.8520000E+00         -4.48446108550E-02      
  7      3.5710000E+00         -6.42280992624E-02      
  8      1.6370000E+00         -7.51099222925E-02      
P   1
  1      7.3820000E-01          1.0000000        
P   1
  1      2.5770000E-01          1.0000000        
P   1
  1      9.7730000E-02          1.0000000        
P   1
  1      3.6900000E-02          1.0000000        
D   1
  1      1.3170000E+00          1.0000000        
D   1
  1      5.2600000E-01          1.0000000        
D   1
  1      2.1000000E-01          1.0000000        
D   1
  1      8.4000000E-02          1.0000000        
F   1
  1      5.1300000E-01          1.0000000        
F   1
  1      2.5800000E-01          1.0000000        
F   1
  1      1.3000000E-01          1.0000000        
G   1
  1      5.4300000E-01          1.0000000        
G   1
  1      2.5200000E-01          1.0000000        
H   1
  1      4.4600000E-01          1.0000000        


name: cc-pV5Z(fi/sf/lc)
description: V5Z4P Relativistic Valence Quintuple Zeta + Polarization
elt: Si
data:
SILICON
S   16
  1      3.9480000E+06          4.95122874357E-06      
  2      5.9110000E+05          2.42487858226E-05      
  3      1.3450000E+05          1.05462719950E-04      
  4      3.8120000E+04          4.01848700328E-04      
  5      1.2460000E+04          1.38493213121E-03      
  6      4.5040000E+03          4.36718742025E-03      
  7      1.7580000E+03          1.27000981883E-02      
  8      7.2910000E+02          3.39622605456E-02      
  9      3.1800000E+02          8.18637597494E-02      
 10      1.4460000E+02          1.71062966615E-01      
 11      6.7970000E+01          2.86791561637E-01      
 12      3.2820000E+01          3.28910108384E-01      
 13      1.6030000E+01          1.95093522040E-01      
 14      7.3960000E+00          3.50785024744E-02      
 15      3.6610000E+00         -5.24820526072E-04      
 16      1.8230000E+00          1.59576668181E-03      
S   16
  1      3.9480000E+06         -1.32457812668E-06      
  2      5.9110000E+05         -6.49347497047E-06      
  3      1.3450000E+05         -2.82408460324E-05      
  4      3.8120000E+04         -1.07748218605E-04      
  5      1.2460000E+04         -3.71426573853E-04      
  6      4.5040000E+03         -1.17601460179E-03      
  7      1.7580000E+03         -3.43828685024E-03      
  8      7.2910000E+02         -9.35597650202E-03      
  9      3.1800000E+02         -2.32726972721E-02      
 10      1.4460000E+02         -5.22561798116E-02      
 11      6.7970000E+01         -1.00377899937E-01      
 12      3.2820000E+01         -1.52602119923E-01      
 13      1.6030000E+01         -1.25666396815E-01      
 14      7.3960000E+00          9.77283846703E-02      
 15      3.6610000E+00          4.15434670937E-01      
 16      1.8230000E+00          4.66048589994E-01      
S   16
  1      3.9480000E+06          3.40059716092E-07      
  2      5.9110000E+05          1.66614589239E-06      
  3      1.3450000E+05          7.25422972422E-06      
  4      3.8120000E+04          2.76359437859E-05      
  5      1.2460000E+04          9.54708137713E-05      
  6      4.5040000E+03          3.01569722090E-04      
  7      1.7580000E+03          8.84977685364E-04      
  8      7.2910000E+02          2.40203535717E-03      
  9      3.1800000E+02          6.01911862137E-03      
 10      1.4460000E+02          1.35158180541E-02      
 11      6.7970000E+01          2.64690241710E-02      
 12      3.2820000E+01          4.07872717639E-02      
 13      1.6030000E+01          3.56887776631E-02      
 14      7.3960000E+00         -3.14609686780E-02      
 15      3.6610000E+00         -1.36998308534E-01      
 16      1.8230000E+00         -2.50861014547E-01      
S   1
  1      9.1470000E-01          1.0000000        
S   1
  1      3.3930000E-01          1.0000000        
S   1
  1      1.5000000E-01          1.0000000        
S   1
  1      6.4380000E-02          1.0000000        
P   8
  1      1.7800000E+03          2.32824812866E-04      
  2      4.2180000E+02          1.82172719839E-03      
  3      1.3670000E+02          9.65997475571E-03      
  4      5.1810000E+01          3.75381576367E-02      
  5      2.1600000E+01          1.11165350051E-01      
  6      9.5630000E+00          2.38121817444E-01      
  7      4.3500000E+00          3.53500964403E-01      
  8      2.0060000E+00          3.28352483861E-01      
P   8
  1      1.7800000E+03         -4.91339304637E-05      
  2      4.2180000E+02         -3.90098867045E-04      
  3      1.3670000E+02         -2.04658802696E-03      
  4      5.1810000E+01         -8.14433041362E-03      
  5      2.1600000E+01         -2.41442564633E-02      
  6      9.5630000E+00         -5.40769111400E-02      
  7      4.3500000E+00         -7.92354553495E-02      
  8      2.0060000E+00         -8.84741233731E-02      
P   1
  1      9.2050000E-01          1.0000000        
P   1
  1      3.5000000E-01          1.0000000        
P   1
  1      1.3810000E-01          1.0000000        
P   1
  1      5.3380000E-02          1.0000000        
D   1
  1      2.0820000E+00          1.0000000        
D   1
  1      8.1700000E-01          1.0000000        
D   1
  1      3.2100000E-01          1.0000000        
D   1
  1      1.2600000E-01          1.0000000        
F   1
  1      6.8800000E-01          1.0000000        
F   1
  1      3.4100000E-01          1.0000000        
F   1
  1      1.6900000E-01          1.0000000        
G   1
  1      7.0500000E-01          1.0000000        
G   1
  1      3.2000000E-01          1.0000000        
H   1
  1      5.8300000E-01          1.0000000        


name: cc-pV5Z(fi/sf/lc)
description: V5Z4P Relativistic Valence Quintuple Zeta + Polarization
elt: P
data:
PHOSPHOROUS
S   16
  1      4.6660000E+06          5.25043217582E-06      
  2      6.9860000E+05          2.47864785633E-05      
  3      1.5900000E+05          1.05402405993E-04      
  4      4.5040000E+04          3.96695752086E-04      
  5      1.4720000E+04          1.35496176575E-03      
  6      5.3230000E+03          4.25622861402E-03      
  7      2.0760000E+03          1.23613372344E-02      
  8      8.6110000E+02          3.29901585049E-02      
  9      3.7570000E+02          7.96710711966E-02      
 10      1.7080000E+02          1.67364987579E-01      
 11      8.0290000E+01          2.82989592597E-01      
 12      3.8770000E+01          3.30333524911E-01      
 13      1.8930000E+01          2.01578107427E-01      
 14      8.7960000E+00          3.78529890931E-02      
 15      4.3580000E+00         -3.75399490191E-04      
 16      2.1740000E+00          1.56531650476E-03      
S   16
  1      4.6660000E+06         -1.43402720715E-06      
  2      6.9860000E+05         -6.77692840423E-06      
  3      1.5900000E+05         -2.88218512931E-05      
  4      4.5040000E+04         -1.08614969916E-04      
  5      1.4720000E+04         -3.71111482135E-04      
  6      5.3230000E+03         -1.17032804524E-03      
  7      2.0760000E+03         -3.41733428215E-03      
  8      8.6110000E+02         -9.27648375696E-03      
  9      3.7570000E+02         -2.31108885738E-02      
 10      1.7080000E+02         -5.21047167169E-02      
 11      8.0290000E+01         -1.00755789009E-01      
 12      3.8770000E+01         -1.54937967434E-01      
 13      1.8930000E+01         -1.31703294719E-01      
 14      8.7960000E+00          9.14493957291E-02      
 15      4.3580000E+00          4.24320742471E-01      
 16      2.1740000E+00          4.72532870562E-01      
S   16
  1      4.6660000E+06          3.95462559523E-07      
  2      6.9860000E+05          1.86815456039E-06      
  3      1.5900000E+05          7.95188708378E-06      
  4      4.5040000E+04          2.99331298253E-05      
  5      1.4720000E+04          1.02446251503E-04      
  6      5.3230000E+03          3.22507582145E-04      
  7      2.0760000E+03          9.44568329162E-04      
  8      8.6110000E+02          2.55993710418E-03      
  9      3.7570000E+02          6.41892955162E-03      
 10      1.7080000E+02          1.44953195419E-02      
 11      8.0290000E+01          2.85432749582E-02      
 12      3.8770000E+01          4.46537888945E-02      
 13      1.8930000E+01          4.01880108731E-02      
 14      8.7960000E+00         -3.15436127092E-02      
 15      4.3580000E+00         -1.54696975193E-01      
 16      2.1740000E+00         -2.83454752518E-01      
S   1
  1      1.0950000E+00          1.0000000        
S   1
  1      4.4000000E-01          1.0000000        
S   1
  1      1.9450000E-01          1.0000000        
S   1
  1      8.3760000E-02          1.0000000        
P   8
  1      2.0100000E+03          2.54379726199E-04      
  2      4.7630000E+02          1.96369020267E-03      
  3      1.5440000E+02          1.03927647983E-02      
  4      5.8510000E+01          4.03628075678E-02      
  5      2.4400000E+01          1.19046427807E-01      
  6      1.0800000E+01          2.52022082312E-01      
  7      4.9130000E+00          3.66255858671E-01      
  8      2.2690000E+00          3.15493756297E-01      
P   8
  1      2.0100000E+03         -5.99108689671E-05      
  2      4.7630000E+02         -4.66519764682E-04      
  3      1.5440000E+02         -2.46017635410E-03      
  4      5.8510000E+01         -9.72979443216E-03      
  5      2.4400000E+01         -2.90293726800E-02      
  6      1.0800000E+01         -6.37850890188E-02      
  7      4.9130000E+00         -9.38537743052E-02      
  8      2.2690000E+00         -9.26604466835E-02      
P   1
  1      1.0430000E+00          1.0000000        
P   1
  1      4.3130000E-01          1.0000000        
P   1
  1      1.7670000E-01          1.0000000        
P   1
  1      7.0090000E-02          1.0000000        
D   1
  1      2.6560000E+00          1.0000000        
D   1
  1      1.0540000E+00          1.0000000        
D   1
  1      4.1800000E-01          1.0000000        
D   1
  1      1.6600000E-01          1.0000000        
F   1
  1      9.2300000E-01          1.0000000        
F   1
  1      4.5000000E-01          1.0000000        
F   1
  1      2.1900000E-01          1.0000000        
G   1
  1      9.0300000E-01          1.0000000        
G   1
  1      4.1200000E-01          1.0000000        
H   1
  1      7.4500000E-01          1.0000000        


name: cc-pV5Z(fi/sf/lc)
description: V5Z4P Relativistic Valence Quintuple Zeta + Polarization
elt: S
data:
SULFUR
S   16
  1      5.4810000E+06          5.55285587740E-06      
  2      8.2060000E+05          2.53185243849E-05      
  3      1.8670000E+05          1.05313059712E-04      
  4      5.2880000E+04          3.90781211188E-04      
  5      1.7250000E+04          1.33026738234E-03      
  6      6.2260000E+03          4.15554550643E-03      
  7      2.4290000E+03          1.20361601004E-02      
  8      1.0070000E+03          3.21059909382E-02      
  9      4.3950000E+02          7.75790344217E-02      
 10      1.9980000E+02          1.63752491045E-01      
 11      9.3920000E+01          2.79324405231E-01      
 12      4.5340000E+01          3.31353717594E-01      
 13      2.2150000E+01          2.07774636697E-01      
 14      1.0340000E+01          4.10313397130E-02      
 15      5.1190000E+00         -4.40256155216E-04      
 16      2.5530000E+00          1.66288125751E-03      
S   16
  1      5.4810000E+06         -1.54391534749E-06      
  2      8.2060000E+05         -7.04727453096E-06      
  3      1.8670000E+05         -2.93230226749E-05      
  4      5.2880000E+04         -1.08937981573E-04      
  5      1.7250000E+04         -3.71050784272E-04      
  6      6.2260000E+03         -1.16333463320E-03      
  7      2.4290000E+03         -3.38841345648E-03      
  8      1.0070000E+03         -9.18748297433E-03      
  9      4.3950000E+02         -2.29001828601E-02      
 10      1.9980000E+02         -5.17941712566E-02      
 11      9.3920000E+01         -1.00892651521E-01      
 12      4.5340000E+01         -1.56655105395E-01      
 13      2.2150000E+01         -1.37327977547E-01      
 14      1.0340000E+01          8.51986966292E-02      
 15      5.1190000E+00          4.32893872441E-01      
 16      2.5530000E+00          4.78764577593E-01      
S   16
  1      5.4810000E+06          4.48734613515E-07      
  2      8.2060000E+05          2.04769576225E-06      
  3      1.8670000E+05          8.52626051873E-06      
  4      5.2880000E+04          3.16477183907E-05      
  5      1.7250000E+04          1.07945285293E-04      
  6      6.2260000E+03          3.37967530603E-04      
  7      2.4290000E+03          9.86970246067E-04      
  8      1.0070000E+03          2.67328053785E-03      
  9      4.3950000E+02          6.70289596901E-03      
 10      1.9980000E+02          1.51996252457E-02      
 11      9.3920000E+01          3.01317627865E-02      
 12      4.5340000E+01          4.77106743857E-02      
 13      2.2150000E+01          4.41988872036E-02      
 14      1.0340000E+01         -3.09198863587E-02      
 15      5.1190000E+00         -1.70477431554E-01      
 16      2.5530000E+00         -3.11098255480E-01      
S   1
  1      1.2820000E+00          1.0000000        
S   1
  1      5.4500000E-01          1.0000000        
S   1
  1      2.4110000E-01          1.0000000        
S   1
  1      1.0350000E-01          1.0000000        
P   8
  1      2.2000000E+03          2.86087822329E-04      
  2      5.2140000E+02          2.18560809911E-03      
  3      1.6900000E+02          1.15063075022E-02      
  4      6.4050000E+01          4.45369232618E-02      
  5      2.6720000E+01          1.29757098348E-01      
  6      1.1830000E+01          2.69317008602E-01      
  7      5.3780000E+00          3.78213072008E-01      
  8      2.4820000E+00          2.96007449891E-01      
P   8
  1      2.2000000E+03         -7.28391122799E-05      
  2      5.2140000E+02         -5.58113402140E-04      
  3      1.6900000E+02         -2.94844336181E-03      
  4      6.4050000E+01         -1.15588218891E-02      
  5      2.6720000E+01         -3.44243532196E-02      
  6      1.1830000E+01         -7.35724204248E-02      
  7      5.3780000E+00         -1.07640114210E-01      
  8      2.4820000E+00         -8.73183950315E-02      
P   1
  1      1.1160000E+00          1.0000000        
P   1
  1      4.8480000E-01          1.0000000        
P   1
  1      2.0060000E-01          1.0000000        
P   1
  1      7.9510000E-02          1.0000000        
D   1
  1      3.2030000E+00          1.0000000        
D   1
  1      1.2810000E+00          1.0000000        
D   1
  1      5.1200000E-01          1.0000000        
D   1
  1      2.0500000E-01          1.0000000        
F   1
  1      1.0960000E+00          1.0000000        
F   1
  1      5.2900000E-01          1.0000000        
F   1
  1      2.5500000E-01          1.0000000        
G   1
  1      1.0710000E+00          1.0000000        
G   1
  1      4.6300000E-01          1.0000000        
H   1
  1      8.7200000E-01          1.0000000        


name: cc-pV5Z(fi/sf/lc)
description: V5Z4P Relativistic Valence Quintuple Zeta + Polarization
elt: Cl
data:
CHLORINE
S   16
  1      6.4100000E+06          5.84609938646E-06      
  2      9.5960000E+05          2.58250978953E-05      
  3      2.1830000E+05          1.04929250318E-04      
  4      6.1810000E+04          3.84343519025E-04      
  5      2.0140000E+04          1.29737867981E-03      
  6      7.2640000E+03          4.03935907165E-03      
  7      2.8320000E+03          1.16510395871E-02      
  8      1.1750000E+03          3.10382384112E-02      
  9      5.1260000E+02          7.51956870984E-02      
 10      2.3300000E+02          1.59469825214E-01      
 11      1.0950000E+02          2.74822996685E-01      
 12      5.2860000E+01          3.32102542151E-01      
 13      2.5840000E+01          2.15210910974E-01      
 14      1.2170000E+01          4.50316441775E-02      
 15      6.0300000E+00         -1.28163366858E-04      
 16      3.0120000E+00          1.61054919276E-03      
S   16
  1      6.4100000E+06         -1.65084278894E-06      
  2      9.5960000E+05         -7.30106673206E-06      
  3      2.1830000E+05         -2.96798629846E-05      
  4      6.1810000E+04         -1.08840255976E-04      
  5      2.0140000E+04         -3.67671223908E-04      
  6      7.2640000E+03         -1.14867462017E-03      
  7      2.8320000E+03         -3.33209895514E-03      
  8      1.1750000E+03         -9.01747689290E-03      
  9      5.1260000E+02         -2.25267208987E-02      
 10      2.3300000E+02         -5.10974576066E-02      
 11      1.0950000E+02         -1.00325262566E-01      
 12      5.2860000E+01         -1.57528998325E-01      
 13      2.5840000E+01         -1.43336742199E-01      
 14      1.2170000E+01          7.40283011513E-02      
 15      6.0300000E+00          4.32865319168E-01      
 16      3.0120000E+00          4.87394032838E-01      
S   16
  1      6.4100000E+06          4.99670063511E-07      
  2      9.5960000E+05          2.20941505205E-06      
  3      2.1830000E+05          8.98698933351E-06      
  4      6.1810000E+04          3.29328680991E-05      
  5      2.0140000E+04          1.11382949754E-04      
  6      7.2640000E+03          3.47594400938E-04      
  7      2.8320000E+03          1.01064889963E-03      
  8      1.1750000E+03          2.73325382275E-03      
  9      5.1260000E+02          6.86587253475E-03      
 10      2.3300000E+02          1.56251537530E-02      
 11      1.0950000E+02          3.12048306439E-02      
 12      5.2860000E+01          5.00456942951E-02      
 13      2.5840000E+01          4.80642953752E-02      
 14      1.2170000E+01         -2.80025145606E-02      
 15      6.0300000E+00         -1.80162262375E-01      
 16      3.0120000E+00         -3.31932044476E-01      
S   1
  1      1.5110000E+00          1.0000000        
S   1
  1      6.6040000E-01          1.0000000        
S   1
  1      2.9260000E-01          1.0000000        
S   1
  1      1.2540000E-01          1.0000000        
P   8
  1      2.5480000E+03          2.89373460916E-04      
  2      6.0370000E+02          2.17605210657E-03      
  3      1.9560000E+02          1.14666657115E-02      
  4      7.4150000E+01          4.45324583707E-02      
  5      3.0940000E+01          1.30706707935E-01      
  6      1.3690000E+01          2.73281524858E-01      
  7      6.2290000E+00          3.83257871034E-01      
  8      2.8780000E+00          2.90979009600E-01      
P   8
  1      2.5480000E+03         -7.80239958459E-05      
  2      6.0370000E+02         -5.87032460935E-04      
  3      1.9560000E+02         -3.11371012328E-03      
  4      7.4150000E+01         -1.22186014527E-02      
  5      3.0940000E+01         -3.68358219483E-02      
  6      1.3690000E+01         -7.91280064322E-02      
  7      6.2290000E+00         -1.17221978631E-01      
  8      2.8780000E+00         -8.54643876040E-02      
P   1
  1      1.2820000E+00          1.0000000        
P   1
  1      5.6410000E-01          1.0000000        
P   1
  1      2.3480000E-01          1.0000000        
P   1
  1      9.3120000E-02          1.0000000        
D   1
  1      3.7810000E+00          1.0000000        
D   1
  1      1.5290000E+00          1.0000000        
D   1
  1      6.1800000E-01          1.0000000        
D   1
  1      2.5000000E-01          1.0000000        
F   1
  1      1.3450000E+00          1.0000000        
F   1
  1      6.5600000E-01          1.0000000        
F   1
  1      3.2000000E-01          1.0000000        
G   1
  1      1.3020000E+00          1.0000000        
G   1
  1      5.5600000E-01          1.0000000        
H   1
  1      1.0530000E+00          1.0000000        


name: cc-pV5Z(fi/sf/lc)
description: V5Z4P Relativistic Valence Quintuple Zeta + Polarization
elt: Ar
data:
ARGON
S   16
  1      7.4010000E+06          6.17827375375E-06      
  2      1.1080000E+06          2.65260796754E-05      
  3      2.5210000E+05          1.05409042693E-04      
  4      7.1380000E+04          3.80296911710E-04      
  5      2.3260000E+04          1.27209608990E-03      
  6      8.3900000E+03          3.93722810129E-03      
  7      3.2710000E+03          1.13260673583E-02      
  8      1.3570000E+03          3.01271415214E-02      
  9      5.9200000E+02          7.30881490517E-02      
 10      2.6910000E+02          1.55521180606E-01      
 11      1.2650000E+02          2.70568586643E-01      
 12      6.1030000E+01          3.32719809141E-01      
 13      2.9860000E+01          2.21631588690E-01      
 14      1.4170000E+01          4.91583993583E-02      
 15      7.0220000E+00          6.51827793029E-05      
 16      3.5110000E+00          1.65440122084E-03      
S   16
  1      7.4010000E+06         -1.76858186315E-06      
  2      1.1080000E+06         -7.60257206059E-06      
  3      2.5210000E+05         -3.02324246187E-05      
  4      7.1380000E+04         -1.09194886949E-04      
  5      2.3260000E+04         -3.65608425200E-04      
  6      8.3900000E+03         -1.13520256892E-03      
  7      3.2710000E+03         -3.28472586767E-03      
  8      1.3570000E+03         -8.87025720529E-03      
  9      5.9200000E+02         -2.21839180196E-02      
 10      2.6910000E+02         -5.03984194784E-02      
 11      1.2650000E+02         -9.96883431177E-02      
 12      6.1030000E+01         -1.58226246302E-01      
 13      2.9860000E+01         -1.48450612429E-01      
 14      1.4170000E+01          6.37157369527E-02      
 15      7.0220000E+00          4.32358024613E-01      
 16      3.5110000E+00          4.95165924372E-01      
S   16
  1      7.4010000E+06          5.52964463299E-07      
  2      1.1080000E+06          2.37671406571E-06      
  3      2.5210000E+05          9.45612590523E-06      
  4      7.1380000E+04          3.41347469128E-05      
  5      2.3260000E+04          1.14406931980E-04      
  6      8.3900000E+03          3.54919591418E-04      
  7      3.2710000E+03          1.02906789381E-03      
  8      1.3570000E+03          2.77810909381E-03      
  9      5.9200000E+02          6.98383458804E-03      
 10      2.6910000E+02          1.59279292326E-02      
 11      1.2650000E+02          3.20295306285E-02      
 12      6.1030000E+01          5.19955501619E-02      
 13      2.9860000E+01          5.14314736383E-02      
 14      1.4170000E+01         -2.48938840936E-02      
 15      7.0220000E+00         -1.88241930665E-01      
 16      3.5110000E+00         -3.49490817746E-01      
S   1
  1      1.7580000E+00          1.0000000        
S   1
  1      7.8410000E-01          1.0000000        
S   1
  1      3.4800000E-01          1.0000000        
S   1
  1      1.4910000E-01          1.0000000        
P   8
  1      2.9270000E+03          2.92641999224E-04      
  2      6.9350000E+02          2.16407958692E-03      
  3      2.2470000E+02          1.13899542214E-02      
  4      8.5170000E+01          4.44759483973E-02      
  5      3.5530000E+01          1.31195416798E-01      
  6      1.5730000E+01          2.76149251873E-01      
  7      7.1650000E+00          3.87134190622E-01      
  8      3.3220000E+00          2.86344090593E-01      
P   8
  1      2.9270000E+03         -8.18897835465E-05      
  2      6.9350000E+02         -6.04997216344E-04      
  3      2.2470000E+02         -3.21165438403E-03      
  4      8.5170000E+01         -1.26553471881E-02      
  5      3.5530000E+01         -3.84744846362E-02      
  6      1.5730000E+01         -8.31589549593E-02      
  7      7.1650000E+00         -1.24354549872E-01      
  8      3.3220000E+00         -8.24855715535E-02      
P   1
  1      1.4780000E+00          1.0000000        
P   1
  1      6.5520000E-01          1.0000000        
P   1
  1      2.7510000E-01          1.0000000        
P   1
  1      1.0970000E-01          1.0000000        
D   1
  1      4.7760000E+00          1.0000000        
D   1
  1      1.9170000E+00          1.0000000        
D   1
  1      7.7000000E-01          1.0000000        
D   1
  1      3.0900000E-01          1.0000000        
F   1
  1      1.6680000E+00          1.0000000        
F   1
  1      8.2500000E-01          1.0000000        
F   1
  1      4.0800000E-01          1.0000000        
G   1
  1      1.5620000E+00          1.0000000        
G   1
  1      6.6500000E-01          1.0000000        
H   1
  1      1.2640000E+00          1.0000000        


name: cc-pV5Z(fi/sf/lc)
description: V5Z4P Relativistic Valence Quintuple Zeta + Polarization
elt: Ga
data:
GALLIUM
S   22
  1      1.0861522E+08          3.03995551907E-06      
  2      1.6264540E+07          1.46565310752E-05      
  3      3.7001116E+06          4.12764832445E-05      
  4      1.0471691E+06          1.14777103829E-04      
  5      3.4106757E+05          3.05299809966E-04      
  6      1.2277154E+05          8.09816105654E-04      
  7      4.7659578E+04          2.10847831473E-03      
  8      1.9633354E+04          5.38361640687E-03      
  9      8.4887347E+03          1.33156074795E-02      
 10      3.8231381E+03          3.15142270618E-02      
 11      1.7844755E+03          6.97563614662E-02      
 12      8.6005305E+02          1.39287149708E-01      
 13      4.2669867E+02          2.35730902161E-01      
 14      2.1726161E+02          3.03152014571E-01      
 15      1.1296987E+02          2.44895114257E-01      
 16      5.9449441E+01          9.16020906873E-02      
 17      3.0782256E+01          9.20929433363E-03      
 18      1.6423212E+01          5.65999409002E-04      
 19      8.7578890E+00         -5.92958847647E-05      
 20      4.4096290E+00          1.31999831285E-05      
 21      2.2494490E+00         -6.20938743229E-05      
 22      1.1261150E+00          1.64937179044E-05      
S   22
  1      1.0861522E+08         -9.63615547616E-07      
  2      1.6264540E+07         -4.65113144202E-06      
  3      3.7001116E+06         -1.31235077379E-05      
  4      1.0471691E+06         -3.65626945570E-05      
  5      3.4106757E+05         -9.74944142821E-05      
  6      1.2277154E+05         -2.59139153045E-04      
  7      4.7659578E+04         -6.76823283835E-04      
  8      1.9633354E+04         -1.73460525830E-03      
  9      8.4887347E+03         -4.32590355755E-03      
 10      3.8231381E+03         -1.03899664715E-02      
 11      1.7844755E+03         -2.37380855719E-02      
 12      8.6005305E+02         -5.02965989985E-02      
 13      4.2669867E+02         -9.56277837228E-02      
 14      2.1726161E+02         -1.51049097314E-01      
 15      1.1296987E+02         -1.65776446786E-01      
 16      5.9449441E+01         -2.79867199110E-02      
 17      3.0782256E+01          3.13238165067E-01      
 18      1.6423212E+01          5.22139067400E-01      
 19      8.7578890E+00          2.84936838354E-01      
 20      4.4096290E+00          4.10778390582E-02      
 21      2.2494490E+00          1.31891082639E-03      
 22      1.1261150E+00          1.06914284282E-03      
S   22
  1      1.0861522E+08          3.68845429346E-07      
  2      1.6264540E+07          1.78048857649E-06      
  3      3.7001116E+06          5.02533802017E-06      
  4      1.0471691E+06          1.40023863905E-05      
  5      3.4106757E+05          3.73559251273E-05      
  6      1.2277154E+05          9.92894605579E-05      
  7      4.7659578E+04          2.59522314815E-04      
  8      1.9633354E+04          6.65116784628E-04      
  9      8.4887347E+03          1.66140070852E-03      
 10      3.8231381E+03          3.99498148314E-03      
 11      1.7844755E+03          9.17158782818E-03      
 12      8.6005305E+02          1.95610014362E-02      
 13      4.2669867E+02          3.78078877604E-02      
 14      2.1726161E+02          6.13218897047E-02      
 15      1.1296987E+02          7.07632757506E-02      
 16      5.9449441E+01          1.16980283923E-02      
 17      3.0782256E+01         -1.73214743147E-01      
 18      1.6423212E+01         -4.04996926893E-01      
 19      8.7578890E+00         -2.72342250607E-01      
 20      4.4096290E+00          2.96451882924E-01      
 21      2.2494490E+00          6.35306556476E-01      
 22      1.1261150E+00          3.50225985978E-01      
S   22
  1      1.0861522E+08         -8.65216813255E-08      
  2      1.6264540E+07         -4.17674694580E-07      
  3      3.7001116E+06         -1.17885564288E-06      
  4      1.0471691E+06         -3.28502917980E-06      
  5      3.4106757E+05         -8.76336930442E-06      
  6      1.2277154E+05         -2.32965204352E-05      
  7      4.7659578E+04         -6.08838789515E-05      
  8      1.9633354E+04         -1.56083741914E-04      
  9      8.4887347E+03         -3.89820409711E-04      
 10      3.8231381E+03         -9.37923682614E-04      
 11      1.7844755E+03         -2.15348032723E-03      
 12      8.6005305E+02         -4.59997053456E-03      
 13      4.2669867E+02         -8.90284301406E-03      
 14      2.1726161E+02         -1.45084030146E-02      
 15      1.1296987E+02         -1.68197366172E-02      
 16      5.9449441E+01         -2.83946036264E-03      
 17      3.0782256E+01          4.28257716834E-02      
 18      1.6423212E+01          1.04693932551E-01      
 19      8.7578890E+00          7.22514692603E-02      
 20      4.4096290E+00         -9.39013846846E-02      
 21      2.2494490E+00         -2.28705304543E-01      
 22      1.1261150E+00         -2.47681234830E-01      
S   1
  1      5.1548600E-01          1.0000000        
S   1
  1      2.4257800E-01          1.0000000        
S   1
  1      1.0708600E-01          1.0000000        
S   1
  1      4.6988000E-02          1.0000000        
P   13
  1      3.2152190E+04          1.01422126533E-04      
  2      7.6093842E+03          4.03604345847E-04      
  3      2.4714744E+03          1.86835704572E-03      
  4      9.4606363E+02          7.39448330119E-03      
  5      4.0194711E+02          2.54681201912E-02      
  6      1.8364688E+02          7.34887440235E-02      
  7      8.8533264E+01          1.70464606901E-01      
  8      4.4270355E+01          2.96947433580E-01      
  9      2.2723083E+01          3.46312418575E-01      
 10      1.1823141E+01          2.13663600446E-01      
 11      6.0421350E+00          5.06882040128E-02      
 12      3.0317540E+00          3.30954443017E-03      
 13      1.4933660E+00          9.70242600469E-04      
P   13
  1      3.2152190E+04         -3.85952886204E-05      
  2      7.6093842E+03         -1.53763158661E-04      
  3      2.4714744E+03         -7.14455086096E-04      
  4      9.4606363E+02         -2.83935979970E-03      
  5      4.0194711E+02         -9.90332346359E-03      
  6      1.8364688E+02         -2.91884129235E-02      
  7      8.8533264E+01         -7.03387327364E-02      
  8      4.4270355E+01         -1.28139490903E-01      
  9      2.2723083E+01         -1.57084381956E-01      
 10      1.1823141E+01         -3.74735194618E-02      
 11      6.0421350E+00          2.49053259240E-01      
 12      3.0317540E+00          4.46468636085E-01      
 13      1.4933660E+00          3.48193462516E-01      
P   13
  1      3.2152190E+04          6.28267209283E-06      
  2      7.6093842E+03          2.51824179263E-05      
  3      2.4714744E+03          1.16018612655E-04      
  4      9.4606363E+02          4.65968136247E-04      
  5      4.0194711E+02          1.60960330512E-03      
  6      1.8364688E+02          4.81083289779E-03      
  7      8.8533264E+01          1.14810946517E-02      
  8      4.4270355E+01          2.14003717285E-02      
  9      2.2723083E+01          2.55975938228E-02      
 10      1.1823141E+01          5.72387461423E-03      
 11      6.0421350E+00         -5.10711552638E-02      
 12      3.0317540E+00         -8.42055613916E-02      
 13      1.4933660E+00         -8.93263633174E-02      
P   1
  1      7.0972700E-01          1.0000000        
P   1
  1      2.4859300E-01          1.0000000        
P   1
  1      9.4395000E-02          1.0000000        
P   1
  1      3.5887000E-02          1.0000000        
D   9
  1      1.0405046E+03          1.02369999270E-04      
  2      3.1459714E+02          9.03619492806E-04      
  3      1.2278760E+02          5.10232327773E-03      
  4      5.4760369E+01          2.00101392102E-02      
  5      2.6298944E+01          5.80885994405E-02      
  6      1.3263445E+01          1.30926599939E-01      
  7      6.8850650E+00          2.20608086018E-01      
  8      3.5795250E+00          2.81361783156E-01      
  9      1.8315640E+00          2.83093353860E-01      
D   1
  1      9.1290900E-01          1.0000000        
D   1
  1      4.3534000E-01          1.0000000        
D   1
  1      1.8851800E-01          1.0000000        
D   1
  1      7.5800000E-02          1.0000000        
F   1
  1      5.9600000E-01          1.0000000        
F   1
  1      2.8260000E-01          1.0000000        
F   1
  1      1.3400000E-01          1.0000000        
G   1
  1      6.1460000E-01          1.0000000        
G   1
  1      2.7500000E-01          1.0000000        
H   1
  1      4.9860000E-01          1.0000000        


name: cc-pV5Z(fi/sf/lc)
description: V5Z4P Relativistic Valence Quintuple Zeta + Polarization
elt: Ge
data:
GERMANIUM
S   22
  1      1.2200119E+08          2.89945839801E-06      
  2      1.8257470E+07          1.49702162084E-05      
  3      4.1508215E+06          4.16399831734E-05      
  4      1.1741018E+06          1.14733478212E-04      
  5      3.8230915E+05          3.00849046278E-04      
  6      1.3760796E+05          7.89044995011E-04      
  7      5.3419242E+04          2.03412342955E-03      
  8      2.2005756E+04          5.15775632314E-03      
  9      9.5138479E+03          1.26971873758E-02      
 10      4.2841756E+03          2.99899615640E-02      
 11      1.9991664E+03          6.64474764751E-02      
 12      9.6324716E+02          1.33366919835E-01      
 13      4.7780500E+02          2.28322991174E-01      
 14      2.4331589E+02          3.00379520728E-01      
 15      1.2663999E+02          2.53148305462E-01      
 16      6.6783579E+01          1.02479464046E-01      
 17      3.4416084E+01          1.18379672421E-02      
 18      1.8372814E+01          3.79026367348E-04      
 19      9.8054610E+00          6.69536299072E-05      
 20      4.9694030E+00         -4.46533386270E-05      
 21      2.5486230E+00         -3.22109278523E-05      
 22      1.2845940E+00         -3.22642997767E-08      
S   22
  1      1.2200119E+08         -9.23592458255E-07      
  2      1.8257470E+07         -4.77385424426E-06      
  3      4.1508215E+06         -1.33043368247E-05      
  4      1.1741018E+06         -3.67304106406E-05      
  5      3.8230915E+05         -9.65654970592E-05      
  6      1.3760796E+05         -2.53806653074E-04      
  7      5.3419242E+04         -6.56456613927E-04      
  8      2.2005756E+04         -1.67057305052E-03      
  9      9.5138479E+03         -4.14617053445E-03      
 10      4.2841756E+03         -9.93063270694E-03      
 11      1.9991664E+03         -2.26834026823E-02      
 12      9.6324716E+02         -4.81708905310E-02      
 13      4.7780500E+02         -9.21923578914E-02      
 14      2.4331589E+02         -1.47610617087E-01      
 15      1.2663999E+02         -1.68278423445E-01      
 16      6.6783579E+01         -4.44902901531E-02      
 17      3.4416084E+01          2.89572894356E-01      
 18      1.8372814E+01          5.23293504016E-01      
 19      9.8054610E+00          3.06663299166E-01      
 20      4.9694030E+00          4.85166146291E-02      
 21      2.5486230E+00          1.47670385124E-03      
 22      1.2845940E+00          1.18974454033E-03      
S   22
  1      1.2200119E+08          3.57217519658E-07      
  2      1.8257470E+07          1.84655470189E-06      
  3      4.1508215E+06          5.14779564080E-06      
  4      1.1741018E+06          1.42138364255E-05      
  5      3.8230915E+05          3.73873285343E-05      
  6      1.3760796E+05          9.82681668779E-05      
  7      5.3419242E+04          2.54355087876E-04      
  8      2.2005756E+04          6.47309290775E-04      
  9      9.5138479E+03          1.60905338102E-03      
 10      4.2841756E+03          3.85828352541E-03      
 11      1.9991664E+03          8.85411239011E-03      
 12      9.6324716E+02          1.89226074414E-02      
 13      4.7780500E+02          3.67930113434E-02      
 14      2.4331589E+02          6.04354457104E-02      
 15      1.2663999E+02          7.23422411154E-02      
 16      6.6783579E+01          1.94399198737E-02      
 17      3.4416084E+01         -1.60296014244E-01      
 18      1.8372814E+01         -4.01411405599E-01      
 19      9.8054610E+00         -2.99701428921E-01      
 20      4.9694030E+00          2.61717663273E-01      
 21      2.5486230E+00          6.43317159316E-01      
 22      1.2845940E+00          3.74743967816E-01      
S   22
  1      1.2200119E+08         -9.23110483051E-08      
  2      1.8257470E+07         -4.77181678006E-07      
  3      4.1508215E+06         -1.33036014903E-06      
  4      1.1741018E+06         -3.67328425354E-06      
  5      3.8230915E+05         -9.66311119626E-06      
  6      1.3760796E+05         -2.53967692899E-05      
  7      5.3419242E+04         -6.57489026924E-05      
  8      2.2005756E+04         -1.67306711495E-04      
  9      9.5138479E+03         -4.16030238517E-04      
 10      4.2841756E+03         -9.97574314849E-04      
 11      1.9991664E+03         -2.29119205091E-03      
 12      9.6324716E+02         -4.89975601146E-03      
 13      4.7780500E+02         -9.55092485309E-03      
 14      2.4331589E+02         -1.57373867261E-02      
 15      1.2663999E+02         -1.89803853673E-02      
 16      6.6783579E+01         -5.10643907946E-03      
 17      3.4416084E+01          4.35301818329E-02      
 18      1.8372814E+01          1.14747984367E-01      
 19      9.8054610E+00          8.77016330232E-02      
 20      4.9694030E+00         -9.09867145393E-02      
 21      2.5486230E+00         -2.58978788039E-01      
 22      1.2845940E+00         -2.89801429799E-01      
S   1
  1      5.8335300E-01          1.0000000        
S   1
  1      2.9343900E-01          1.0000000        
S   1
  1      1.3267200E-01          1.0000000        
S   1
  1      5.9239000E-02          1.0000000        
P   13
  1      3.2314970E+04          1.14258593186E-04      
  2      7.6482002E+03          4.53333501451E-04      
  3      2.4842114E+03          2.09053368630E-03      
  4      9.5100305E+02          8.23329271917E-03      
  5      4.0404833E+02          2.81785904463E-02      
  6      1.8460354E+02          8.04771210629E-02      
  7      8.8964128E+01          1.83363571376E-01      
  8      4.4447742E+01          3.10269401884E-01      
  9      2.2799075E+01          3.42323281493E-01      
 10      1.1835928E+01          1.92308264718E-01      
 11      6.0112940E+00          3.97087597904E-02      
 12      2.9957840E+00          2.32108856767E-03      
 13      1.4695700E+00          7.91494679482E-04      
P   13
  1      3.2314970E+04         -4.41436050681E-05      
  2      7.6482002E+03         -1.75390004912E-04      
  3      2.4842114E+03         -8.11853260057E-04      
  4      9.5100305E+02         -3.21255667500E-03      
  5      4.0404833E+02         -1.11417698876E-02      
  6      1.8460354E+02         -3.25601036221E-02      
  7      8.8964128E+01         -7.71753641003E-02      
  8      4.4447742E+01         -1.36947213151E-01      
  9      2.2799075E+01         -1.56858417563E-01      
 10      1.1835928E+01         -9.17344974003E-03      
 11      6.0112940E+00          2.91793299700E-01      
 12      2.9957840E+00          4.62037939307E-01      
 13      1.4695700E+00          3.11313323843E-01      
P   13
  1      3.2314970E+04          8.62632972719E-06      
  2      7.6482002E+03          3.43557445620E-05      
  3      2.4842114E+03          1.58561824109E-04      
  4      9.5100305E+02          6.30170302019E-04      
  5      4.0404833E+02          2.17964261442E-03      
  6      1.8460354E+02          6.41462483291E-03      
  7      8.8964128E+01          1.51905231319E-02      
  8      4.4447742E+01          2.73045631163E-02      
  9      2.2799075E+01          3.10270261453E-02      
 10      1.1835928E+01         -3.90063056259E-04      
 11      6.0112940E+00         -7.04179339009E-02      
 12      2.9957840E+00         -1.11137160283E-01      
 13      1.4695700E+00         -9.66651278994E-02      
P   1
  1      6.9068100E-01          1.0000000        
P   1
  1      2.8616000E-01          1.0000000        
P   1
  1      1.1774200E-01          1.0000000        
P   1
  1      4.7385000E-02          1.0000000        
D   9
  1      1.2267982E+03          8.94248056158E-05      
  2      3.7123223E+02          7.84738237043E-04      
  3      1.4489099E+02          4.47858635392E-03      
  4      6.4604130E+01          1.80157813728E-02      
  5      3.1039737E+01          5.37747107988E-02      
  6      1.5643870E+01          1.25062966645E-01      
  7      8.1258220E+00          2.17939566016E-01      
  8      4.2397620E+00          2.84888101557E-01      
  9      2.1863860E+00          2.89487118525E-01      
D   1
  1      1.1038710E+00          1.0000000        
D   1
  1      5.3381100E-01          1.0000000        
D   1
  1      2.3135500E-01          1.0000000        
D   1
  1      9.5300000E-02          1.0000000        
F   1
  1      6.7090000E-01          1.0000000        
F   1
  1      3.2970000E-01          1.0000000        
F   1
  1      1.6300000E-01          1.0000000        
G   1
  1      7.0340000E-01          1.0000000        
G   1
  1      3.1600000E-01          1.0000000        
H   1
  1      5.8150000E-01          1.0000000        


name: cc-pV5Z(fi/sf/lc)
description: V5Z4P Relativistic Valence Quintuple Zeta + Polarization
elt: As
data:
ARSENIC
S   22
  1      1.3750753E+08          2.77013455096E-06      
  2      2.0515052E+07          1.52623944200E-05      
  3      4.6487164E+06          4.21190342365E-05      
  4      1.3112646E+06          1.15173662312E-04      
  5      4.2618586E+05          2.98268949563E-04      
  6      1.5323706E+05          7.74051066098E-04      
  7      5.9459404E+04          1.97598828765E-03      
  8      2.4492812E+04          4.97365522818E-03      
  9      1.0590253E+04          1.21795148095E-02      
 10      4.7697841E+03          2.86811445307E-02      
 11      2.2263698E+03          6.35222350863E-02      
 12      1.0730862E+03          1.27943716361E-01      
 13      5.3250059E+02          2.21180784117E-01      
 14      2.7129755E+02          2.97055676468E-01      
 15      1.4131195E+02          2.60382538237E-01      
 16      7.4584433E+01          1.13181250274E-01      
 17      3.8298338E+01          1.46728578997E-02      
 18      2.0469130E+01          2.04470775431E-04      
 19      1.0939578E+01          1.97404303243E-04      
 20      5.5903670E+00         -1.06655560202E-04      
 21      2.8828590E+00          4.81963466092E-07      
 22      1.4660860E+00         -1.87190449465E-05      
S   22
  1      1.3750753E+08         -8.86582796609E-07      
  2      2.0515052E+07         -4.88997756957E-06      
  3      4.6487164E+06         -1.35213730069E-05      
  4      1.3112646E+06         -3.70483930615E-05      
  5      4.2618586E+05         -9.62106271531E-05      
  6      1.5323706E+05         -2.50240491670E-04      
  7      5.9459404E+04         -6.41009115362E-04      
  8      2.4492812E+04         -1.61924036705E-03      
  9      1.0590253E+04         -3.99718828734E-03      
 10      4.7697841E+03         -9.53913654435E-03      
 11      2.2263698E+03         -2.17565771948E-02      
 12      1.0730862E+03         -4.62452926911E-02      
 13      5.3250059E+02         -8.89658902222E-02      
 14      2.7129755E+02         -1.44192273741E-01      
 15      1.4131195E+02         -1.70010125324E-01      
 16      7.4584433E+01         -5.91295562277E-02      
 17      3.8298338E+01          2.66577687435E-01      
 18      2.0469130E+01          5.21939956764E-01      
 19      1.0939578E+01          3.27313271544E-01      
 20      5.5903670E+00          5.68069460088E-02      
 21      2.8828590E+00          1.81654159499E-03      
 22      1.4660860E+00          1.28489861152E-03      
S   22
  1      1.3750753E+08          3.46500906055E-07      
  2      2.0515052E+07          1.91132357223E-06      
  3      4.6487164E+06          5.28666164466E-06      
  4      1.3112646E+06          1.44876918958E-05      
  5      4.2618586E+05          3.76414827022E-05      
  6      1.5323706E+05          9.79111565915E-05      
  7      5.9459404E+04          2.50987074670E-04      
  8      2.4492812E+04          6.34068797935E-04      
  9      1.0590253E+04          1.56755641121E-03      
 10      4.7697841E+03          3.74525763069E-03      
 11      2.2263698E+03          8.58012987262E-03      
 12      1.0730862E+03          1.83513771898E-02      
 13      5.3250059E+02          3.58443266716E-02      
 14      2.7129755E+02          5.95543780687E-02      
 15      1.4131195E+02          7.36196631699E-02      
 16      7.4584433E+01          2.64201397470E-02      
 17      3.8298338E+01         -1.47969018299E-01      
 18      2.0469130E+01         -3.96610818724E-01      
 19      1.0939578E+01         -3.25145337527E-01      
 20      5.5903670E+00          2.25508472906E-01      
 21      2.8828590E+00          6.47958613038E-01      
 22      1.4660860E+00          3.99744925043E-01      
S   22
  1      1.3750753E+08         -9.62053129735E-08      
  2      2.0515052E+07         -5.30664046891E-07      
  3      4.6487164E+06         -1.46794162474E-06      
  4      1.3112646E+06         -4.02253011509E-06      
  5      4.2618586E+05         -1.04533249670E-05      
  6      1.5323706E+05         -2.71857653509E-05      
  7      5.9459404E+04         -6.97136662607E-05      
  8      2.4492812E+04         -1.76061073156E-04      
  9      1.0590253E+04         -4.35533912594E-04      
 10      4.7697841E+03         -1.04024377901E-03      
 11      2.2263698E+03         -2.38608690431E-03      
 12      1.0730862E+03         -5.10420046820E-03      
 13      5.3250059E+02         -1.00008121966E-02      
 14      2.7129755E+02         -1.66541065022E-02      
 15      1.4131195E+02         -2.07735623173E-02      
 16      7.4584433E+01         -7.43487639329E-03      
 17      3.8298338E+01          4.30985726055E-02      
 18      2.0469130E+01          1.22094551628E-01      
 19      1.0939578E+01          1.02577266736E-01      
 20      5.5903670E+00         -8.41238431175E-02      
 21      2.8828590E+00         -2.82812102575E-01      
 22      1.4660860E+00         -3.27788715656E-01      
S   1
  1      6.7483900E-01          1.0000000        
S   1
  1      3.4639900E-01          1.0000000        
S   1
  1      1.5928900E-01          1.0000000        
S   1
  1      7.2109000E-02          1.0000000        
P   13
  1      3.4166161E+04          1.21418206397E-04      
  2      8.0865608E+03          4.71897608846E-04      
  3      2.6265114E+03          2.15521782031E-03      
  4      1.0053950E+03          8.43630101586E-03      
  5      4.2712735E+02          2.87907553115E-02      
  6      1.9515113E+02          8.20077001019E-02      
  7      9.4054308E+01          1.86211097174E-01      
  8      4.6999880E+01          3.13219492697E-01      
  9      2.4117457E+01          3.41047734714E-01      
 10      1.2519982E+01          1.87364538372E-01      
 11      6.3573250E+00          3.74813488266E-02      
 12      3.1680520E+00          2.14442683512E-03      
 13      1.5534810E+00          7.13926049961E-04      
P   13
  1      3.4166161E+04         -4.76135447534E-05      
  2      8.0865608E+03         -1.85354533689E-04      
  3      2.6265114E+03         -8.49661323624E-04      
  4      1.0053950E+03         -3.34282142645E-03      
  5      4.2712735E+02         -1.15610270844E-02      
  6      1.9515113E+02         -3.37191541639E-02      
  7      9.4054308E+01         -7.96757532556E-02      
  8      4.6999880E+01         -1.40743410570E-01      
  9      2.4117457E+01         -1.58155989849E-01      
 10      1.2519982E+01         -1.25890085734E-03      
 11      6.3573250E+00          3.06010464117E-01      
 12      3.1680520E+00          4.70239470752E-01      
 13      1.5534810E+00          2.97112967350E-01      
P   13
  1      3.4166161E+04          1.05084489770E-05      
  2      8.0865608E+03          4.09184486691E-05      
  3      2.6265114E+03          1.87631297302E-04      
  4      1.0053950E+03          7.38711109558E-04      
  5      4.2712735E+02          2.55844749742E-03      
  6      1.9515113E+02          7.48361820243E-03      
  7      9.4054308E+01          1.77635844745E-02      
  8      4.6999880E+01          3.15853447947E-02      
  9      2.4117457E+01          3.56323426457E-02      
 10      1.2519982E+01         -3.34332553372E-03      
 11      6.3573250E+00         -8.29249856410E-02      
 12      3.1680520E+00         -1.33862092257E-01      
 13      1.5534810E+00         -1.00197383530E-01      
P   1
  1      7.1032500E-01          1.0000000        
P   1
  1      3.2095500E-01          1.0000000        
P   1
  1      1.3935700E-01          1.0000000        
P   1
  1      5.8410000E-02          1.0000000        
D   9
  1      1.4244506E+03          7.99093460577E-05      
  2      4.3106676E+02          6.97133937553E-04      
  3      1.6812864E+02          4.01594257339E-03      
  4      7.4866724E+01          1.65210171268E-02      
  5      3.5945855E+01          5.05473431895E-02      
  6      1.8098474E+01          1.20543331893E-01      
  7      9.4057800E+00          2.15649723981E-01      
  8      4.9239040E+00          2.87550340732E-01      
  9      2.5564930E+00          2.94556602311E-01      
D   1
  1      1.3042330E+00          1.0000000        
D   1
  1      6.3711800E-01          1.0000000        
D   1
  1      2.7579500E-01          1.0000000        
D   1
  1      1.1530000E-01          1.0000000        
F   1
  1      7.5990000E-01          1.0000000        
F   1
  1      3.8590000E-01          1.0000000        
F   1
  1      1.9600000E-01          1.0000000        
G   1
  1      8.0920000E-01          1.0000000        
G   1
  1      3.7000000E-01          1.0000000        
H   1
  1      6.7730000E-01          1.0000000        


name: cc-pV5Z(fi/sf/lc)
description: V5Z4P Relativistic Valence Quintuple Zeta + Polarization
elt: Se
data:
SELENIUM
S   22
  1      1.5443225E+08          2.56898180914E-06      
  2      2.3129212E+07          1.53883006034E-05      
  3      5.2617929E+06          4.19105239168E-05      
  4      1.4888167E+06          1.13357862867E-04      
  5      4.8465656E+05          2.89224155360E-04      
  6      1.7427063E+05          7.42522840450E-04      
  7      6.7529090E+04          1.88012027228E-03      
  8      2.7750837E+04          4.71145861496E-03      
  9      1.1964216E+04          1.15184125177E-02      
 10      5.3707148E+03          2.71719277639E-02      
 11      2.4973194E+03          6.04972061660E-02      
 12      1.1987679E+03          1.22927472940E-01      
 13      5.9258026E+02          2.15253642082E-01      
 14      3.0097708E+02          2.94828707220E-01      
 15      1.5646024E+02          2.66960335477E-01      
 16      8.2476086E+01          1.22562620077E-01      
 17      4.2270887E+01          1.73135276746E-02      
 18      2.2630220E+01          8.63287875989E-05      
 19      1.2122374E+01          3.05153710029E-04      
 20      6.2491700E+00         -1.59437836296E-04      
 21      3.2426780E+00          2.86844947306E-05      
 22      1.6663620E+00         -3.56975568289E-05      
S   22
  1      1.5443225E+08         -8.25988737219E-07      
  2      2.3129212E+07         -4.95284775656E-06      
  3      5.2617929E+06         -1.35161462548E-05      
  4      1.4888167E+06         -3.66325752535E-05      
  5      4.8465656E+05         -9.37337445142E-05      
  6      1.7427063E+05         -2.41209011230E-04      
  7      6.7529090E+04         -6.12925928371E-04      
  8      2.7750837E+04         -1.54142702839E-03      
  9      1.1964216E+04         -3.79798516547E-03      
 10      5.3707148E+03         -9.07381937449E-03      
 11      2.4973194E+03         -2.07779156869E-02      
 12      1.1987679E+03         -4.44498257260E-02      
 13      5.9258026E+02         -8.62560822574E-02      
 14      3.0097708E+02         -1.41616547144E-01      
 15      1.5646024E+02         -1.71556771058E-01      
 16      8.2476086E+01         -7.08479816975E-02      
 17      4.2270887E+01          2.46973463915E-01      
 18      2.2630220E+01          5.18561074615E-01      
 19      1.2122374E+01          3.44650960933E-01      
 20      6.2491700E+00          6.51624169254E-02      
 21      3.2426780E+00          2.26132062661E-03      
 22      1.6663620E+00          1.37361358067E-03      
S   22
  1      1.5443225E+08          3.26143685470E-07      
  2      2.3129212E+07          1.95583775644E-06      
  3      5.2617929E+06          5.33902801732E-06      
  4      1.4888167E+06          1.44728778974E-05      
  5      4.8465656E+05          3.70505437259E-05      
  6      1.7427063E+05          9.53553067981E-05      
  7      6.7529090E+04          2.42471040485E-04      
  8      2.7750837E+04          6.09871358578E-04      
  9      1.1964216E+04          1.50477859333E-03      
 10      5.3707148E+03          3.59933723025E-03      
 11      2.4973194E+03          8.27679767758E-03      
 12      1.1987679E+03          1.78147019422E-02      
 13      5.9258026E+02          3.50776538472E-02      
 14      3.0097708E+02          5.90060724361E-02      
 15      1.5646024E+02          7.48530453171E-02      
 16      8.2476086E+01          3.21290176805E-02      
 17      4.2270887E+01         -1.37775295124E-01      
 18      2.2630220E+01         -3.91801246627E-01      
 19      1.2122374E+01         -3.46116589551E-01      
 20      6.2491700E+00          1.91619790355E-01      
 21      3.2426780E+00          6.49002650451E-01      
 22      1.6663620E+00          4.22762298591E-01      
S   22
  1      1.5443225E+08         -9.57905262806E-08      
  2      2.3129212E+07         -5.74428520631E-07      
  3      5.2617929E+06         -1.56822747605E-06      
  4      1.4888167E+06         -4.25083123443E-06      
  5      4.8465656E+05         -1.08844226783E-05      
  6      1.7427063E+05         -2.80075679380E-05      
  7      6.7529090E+04         -7.12450329796E-05      
  8      2.7750837E+04         -1.79138016974E-04      
  9      1.1964216E+04         -4.42285776591E-04      
 10      5.3707148E+03         -1.05754109107E-03      
 11      2.4973194E+03         -2.43492802216E-03      
 12      1.1987679E+03         -5.24150045588E-03      
 13      5.9258026E+02         -1.03533002666E-02      
 14      3.0097708E+02         -1.74551661018E-02      
 15      1.5646024E+02         -2.23464009095E-02      
 16      8.2476086E+01         -9.58224660741E-03      
 17      4.2270887E+01          4.24523099179E-02      
 18      2.2630220E+01          1.27745987168E-01      
 19      1.2122374E+01          1.16072566147E-01      
 20      6.2491700E+00         -7.58571785019E-02      
 21      3.2426780E+00         -3.01157398388E-01      
 22      1.6663620E+00         -3.62600526257E-01      
S   1
  1      7.8726400E-01          1.0000000        
S   1
  1      4.0297200E-01          1.0000000        
S   1
  1      1.8709600E-01          1.0000000        
S   1
  1      8.4706000E-02          1.0000000        
P   13
  1      3.6511337E+04          1.27200377323E-04      
  2      8.6405510E+03          4.82696526091E-04      
  3      2.8056911E+03          2.18107339155E-03      
  4      1.0734961E+03          8.48827493722E-03      
  5      4.5577475E+02          2.89368006918E-02      
  6      2.0809432E+02          8.24393756687E-02      
  7      1.0023111E+02          1.87258984588E-01      
  8      5.0073522E+01          3.14569576414E-01      
  9      2.5700262E+01          3.40586326484E-01      
 10      1.3346792E+01          1.85286918876E-01      
 11      6.7870510E+00          3.66174468429E-02      
 12      3.3916540E+00          2.07627263123E-03      
 13      1.6703270E+00          6.52909923555E-04      
P   13
  1      3.6511337E+04         -5.06030904403E-05      
  2      8.6405510E+03         -1.92385981423E-04      
  3      2.8056911E+03         -8.72398953753E-04      
  4      1.0734961E+03         -3.41354500869E-03      
  5      4.5577475E+02         -1.17915399809E-02      
  6      2.0809432E+02         -3.44154220410E-02      
  7      1.0023111E+02         -8.13598570545E-02      
  8      5.0073522E+01         -1.43705283354E-01      
  9      2.5700262E+01         -1.59893111104E-01      
 10      1.3346792E+01          2.72204903734E-03      
 11      6.7870510E+00          3.14752092673E-01      
 12      3.3916540E+00          4.75778743317E-01      
 13      1.6703270E+00          2.86321702498E-01      
P   13
  1      3.6511337E+04          1.22081421631E-05      
  2      8.6405510E+03          4.63790935910E-05      
  3      2.8056911E+03          2.10714718819E-04      
  4      1.0734961E+03          8.23612543959E-04      
  5      4.5577475E+02          2.85499648826E-03      
  6      2.0809432E+02          8.34044123806E-03      
  7      1.0023111E+02          1.98629808961E-02      
  8      5.0073522E+01          3.52118709682E-02      
  9      2.5700262E+01          3.95690953243E-02      
 10      1.3346792E+01         -5.43778459645E-03      
 11      6.7870510E+00         -9.34048751033E-02      
 12      3.3916540E+00         -1.53369730994E-01      
 13      1.6703270E+00         -1.01010679728E-01      
P   1
  1      7.5259900E-01          1.0000000        
P   1
  1      3.4681300E-01          1.0000000        
P   1
  1      1.5185500E-01          1.0000000        
P   1
  1      6.3856000E-02          1.0000000        
D   9
  1      1.6350663E+03          7.25560683170E-05      
  2      4.9467266E+02          6.28641922386E-04      
  3      1.9284388E+02          3.64477392921E-03      
  4      8.5782195E+01          1.52737753684E-02      
  5      4.1149966E+01          4.78309207409E-02      
  6      2.0678170E+01          1.16945209776E-01      
  7      1.0726386E+01          2.14752601371E-01      
  8      5.6124540E+00          2.91657777714E-01      
  9      2.9203760E+00          2.99813765086E-01      
D   1
  1      1.4981840E+00          1.0000000        
D   1
  1      7.3599900E-01          1.0000000        
D   1
  1      3.1600400E-01          1.0000000        
D   1
  1      1.3310000E-01          1.0000000        
F   1
  1      8.4420000E-01          1.0000000        
F   1
  1      4.2110000E-01          1.0000000        
F   1
  1      2.1000000E-01          1.0000000        
G   1
  1      8.6590000E-01          1.0000000        
G   1
  1      3.8500000E-01          1.0000000        
H   1
  1      7.2350000E-01          1.0000000        


name: cc-pV5Z(fi/sf/lc)
description: V5Z4P Relativistic Valence Quintuple Zeta + Polarization
elt: Br
data:
BROMINE
S   22
  1      1.6573515E+08          2.60456091274E-06      
  2      2.4774379E+07          1.62190896898E-05      
  3      5.6282020E+06          4.39184134488E-05      
  4      1.5918997E+06          1.17890932781E-04      
  5      5.1826380E+05          2.97641032082E-04      
  6      1.8649092E+05          7.56527928792E-04      
  7      7.2332493E+04          1.89789303147E-03      
  8      2.9761135E+04          4.71728202623E-03      
  9      1.2851712E+04          1.14486154193E-02      
 10      5.7809430E+03          2.68328667060E-02      
 11      2.6950098E+03          5.94067054554E-02      
 12      1.2976604E+03          1.20259517446E-01      
 13      6.4363493E+02          2.10675089340E-01      
 14      3.2795194E+02          2.91146999987E-01      
 15      1.7092262E+02          2.69817938586E-01      
 16      9.0250141E+01          1.29520982314E-01      
 17      4.6292467E+01          1.96894523948E-02      
 18      2.4848661E+01         -8.70638850307E-06      
 19      1.3347137E+01          4.07640007310E-04      
 20      6.9482580E+00         -2.12815920461E-04      
 21      3.6250750E+00          5.79514251959E-05      
 22      1.8821530E+00         -5.39248357088E-05      
S   22
  1      1.6573515E+08         -8.41192690355E-07      
  2      2.4774379E+07         -5.24372987379E-06      
  3      5.6282020E+06         -1.42279749017E-05      
  4      1.5918997E+06         -3.82731372251E-05      
  5      5.1826380E+05         -9.69177009458E-05      
  6      1.8649092E+05         -2.46957285528E-04      
  7      7.2332493E+04         -6.21826820356E-04      
  8      2.9761135E+04         -1.55125174029E-03      
  9      1.2851712E+04         -3.79447086217E-03      
 10      5.7809430E+03         -9.00562690815E-03      
 11      2.6950098E+03         -2.04969539899E-02      
 12      1.2976604E+03         -4.36326521026E-02      
 13      6.4363493E+02         -8.44894151699E-02      
 14      3.2795194E+02         -1.39223615270E-01      
 15      1.7092262E+02         -1.71592449234E-01      
 16      9.0250141E+01         -7.91112861419E-02      
 17      4.6292467E+01          2.30372464894E-01      
 18      2.4848661E+01          5.13935032604E-01      
 19      1.3347137E+01          3.58959649295E-01      
 20      6.9482580E+00          7.32105876059E-02      
 21      3.6250750E+00          2.98500140345E-03      
 22      1.8821530E+00          1.36468441814E-03      
S   22
  1      1.6573515E+08          3.35457682369E-07      
  2      2.4774379E+07          2.09136082724E-06      
  3      5.6282020E+06          5.67625963891E-06      
  4      1.5918997E+06          1.52722554813E-05      
  5      5.1826380E+05          3.86919813769E-05      
  6      1.8649092E+05          9.86089812152E-05      
  7      7.2332493E+04          2.48459070352E-04      
  8      2.9761135E+04          6.19959334185E-04      
  9      1.2851712E+04          1.51849385587E-03      
 10      5.7809430E+03          3.60845889915E-03      
 11      2.6950098E+03          8.24662164139E-03      
 12      1.2976604E+03          1.76625334560E-02      
 13      6.4363493E+02          3.46913372614E-02      
 14      3.2795194E+02          5.85491150360E-02      
 15      1.7092262E+02          7.54861078033E-02      
 16      9.0250141E+01          3.63016106764E-02      
 17      4.6292467E+01         -1.29408002061E-01      
 18      2.4848661E+01         -3.87179055462E-01      
 19      1.3347137E+01         -3.63552848690E-01      
 20      6.9482580E+00          1.60685358215E-01      
 21      3.6250750E+00          6.47876365706E-01      
 22      1.8821530E+00          4.43599979437E-01      
S   22
  1      1.6573515E+08         -1.03122083617E-07      
  2      2.4774379E+07         -6.42883501974E-07      
  3      5.6282020E+06         -1.74506163628E-06      
  4      1.5918997E+06         -4.69487724818E-06      
  5      5.1826380E+05         -1.18969929007E-05      
  6      1.8649092E+05         -3.03145955454E-05      
  7      7.2332493E+04         -7.64119300468E-05      
  8      2.9761135E+04         -1.90598424676E-04      
  9      1.2851712E+04         -4.67157379602E-04      
 10      5.7809430E+03         -1.10969771044E-03      
 11      2.6950098E+03         -2.53941340984E-03      
 12      1.2976604E+03         -5.43931312644E-03      
 13      6.4363493E+02         -1.07183955522E-02      
 14      3.2795194E+02         -1.81290852686E-02      
 15      1.7092262E+02         -2.35933797004E-02      
 16      9.0250141E+01         -1.13430338846E-02      
 17      4.6292467E+01          4.17430730991E-02      
 18      2.4848661E+01          1.32300352238E-01      
 19      1.3347137E+01          1.28124539832E-01      
 20      6.9482580E+00         -6.67490769752E-02      
 21      3.6250750E+00         -3.16122074782E-01      
 22      1.8821530E+00         -3.93787668936E-01      
S   1
  1      9.1082200E-01          1.0000000        
S   1
  1      4.6395700E-01          1.0000000        
S   1
  1      2.1693300E-01          1.0000000        
S   1
  1      9.8406000E-02          1.0000000        
P   13
  1      3.9391530E+04          1.31593104858E-04      
  2      9.3252225E+03          4.85538384896E-04      
  3      3.0289943E+03          2.16477427275E-03      
  4      1.1595145E+03          8.35275680253E-03      
  5      4.9268131E+02          2.83853334324E-02      
  6      2.2517451E+02          8.08361635840E-02      
  7      1.0859326E+02          1.84207019429E-01      
  8      5.4336079E+01          3.11546310221E-01      
  9      2.7936650E+01          3.41495013596E-01      
 10      1.4539626E+01          1.89894848195E-01      
 11      7.4213070E+00          3.89107384372E-02      
 12      3.7303890E+00          2.19093370385E-03      
 13      1.8541270E+00          6.65078191834E-04      
P   13
  1      3.9391530E+04         -5.30745347032E-05      
  2      9.3252225E+03         -1.96226397990E-04      
  3      3.0289943E+03         -8.77945751941E-04      
  4      1.1595145E+03         -3.40628670041E-03      
  5      4.9268131E+02         -1.17272702335E-02      
  6      2.2517451E+02         -3.42128304629E-02      
  7      1.0859326E+02         -8.11263192916E-02      
  8      5.4336079E+01         -1.44311737736E-01      
  9      2.7936650E+01         -1.62779403439E-01      
 10      1.4539626E+01         -3.08846086058E-03      
 11      7.4213070E+00          3.11193948803E-01      
 12      3.7303890E+00          4.79421426959E-01      
 13      1.8541270E+00          2.87312995728E-01      
P   13
  1      3.9391530E+04          1.37160240022E-05      
  2      9.3252225E+03          5.06604400660E-05      
  3      3.0289943E+03          2.27201854617E-04      
  4      1.1595145E+03          8.80127875097E-04      
  5      4.9268131E+02          3.04276885003E-03      
  6      2.2517451E+02          8.88030055987E-03      
  7      1.0859326E+02          2.12342310452E-02      
  8      5.4336079E+01          3.78841222923E-02      
  9      2.7936650E+01          4.32626589172E-02      
 10      1.4539626E+01         -4.51390507135E-03      
 11      7.4213070E+00         -9.96484115071E-02      
 12      3.7303890E+00         -1.68938336118E-01      
 13      1.8541270E+00         -1.06624168934E-01      
P   1
  1      8.4533700E-01          1.0000000        
P   1
  1      3.9215200E-01          1.0000000        
P   1
  1      1.7276700E-01          1.0000000        
P   1
  1      7.2908000E-02          1.0000000        
D   9
  1      1.8506354E+03          6.75700581459E-05      
  2      5.5707125E+02          5.86858424568E-04      
  3      2.1648687E+02          3.42903474650E-03      
  4      9.6138850E+01          1.45464543192E-02      
  5      4.6126380E+01          4.61602832403E-02      
  6      2.3201164E+01          1.14367878974E-01      
  7      1.2055926E+01          2.13407456423E-01      
  8      6.3255450E+00          2.94007516731E-01      
  9      3.3049220E+00          3.03761707525E-01      
D   1
  1      1.7042530E+00          1.0000000        
D   1
  1      8.3994000E-01          1.0000000        
D   1
  1      3.5695300E-01          1.0000000        
D   1
  1      1.5200000E-01          1.0000000        
F   1
  1      9.6270000E-01          1.0000000        
F   1
  1      4.9550000E-01          1.0000000        
F   1
  1      2.5500000E-01          1.0000000        
G   1
  1      9.7680000E-01          1.0000000        
G   1
  1      4.3900000E-01          1.0000000        
H   1
  1      8.1930000E-01          1.0000000        


name: cc-pV5Z(fi/sf/lc)
description: V5Z4P Relativistic Valence Quintuple Zeta + Polarization
elt: Kr
data:
KRYPTON
S   22
  1      1.8282209E+08          2.42857425137E-06      
  2      2.7356156E+07          1.65496259856E-05      
  3      6.2211704E+06          4.45887878016E-05      
  4      1.7602779E+06          1.18773094494E-04      
  5      5.7319382E+05          2.96334184495E-04      
  6      2.0625845E+05          7.45222501889E-04      
  7      8.0026669E+04          1.84978431493E-03      
  8      3.2939084E+04          4.56243965097E-03      
  9      1.4222633E+04          1.10190485503E-02      
 10      6.3930707E+03          2.57806456535E-02      
 11      2.9764538E+03          5.71565403698E-02      
 12      1.4305254E+03          1.16298364593E-01      
 13      7.0792621E+02          2.05716677000E-01      
 14      3.5984847E+02          2.88820845566E-01      
 15      1.8714965E+02          2.74582133848E-01      
 16      9.8634523E+01          1.37248645468E-01      
 17      5.0547869E+01          2.21852504243E-02      
 18      2.7167004E+01         -7.25927361501E-05      
 19      1.4615098E+01          4.96733977638E-04      
 20      7.6513520E+00         -2.58917476261E-04      
 21      3.9972630E+00          8.24698927519E-05      
 22      2.0858530E+00         -6.90175190243E-05      
S   22
  1      1.8282209E+08         -7.87790927428E-07      
  2      2.7356156E+07         -5.37392102326E-06      
  3      6.2211704E+06         -1.45083817248E-05      
  4      1.7602779E+06         -3.87299039772E-05      
  5      5.7319382E+05         -9.69282417597E-05      
  6      2.0625845E+05         -2.44398512081E-04      
  7      8.0026669E+04         -6.08958830118E-04      
  8      3.2939084E+04         -1.50756926799E-03      
  9      1.4222633E+04         -3.66927916602E-03      
 10      6.3930707E+03         -8.68949373687E-03      
 11      2.9764538E+03         -1.97857920095E-02      
 12      1.4305254E+03         -4.22570874635E-02      
 13      7.0792621E+02         -8.23440916947E-02      
 14      3.5984847E+02         -1.37115319026E-01      
 15      1.8714965E+02         -1.72454702724E-01      
 16      9.8634523E+01         -8.75718314243E-02      
 17      5.0547869E+01          2.15074557712E-01      
 18      2.7167004E+01          5.09589007399E-01      
 19      1.4615098E+01          3.71909610145E-01      
 20      7.6513520E+00          8.07253415050E-02      
 21      3.9972630E+00          3.54991075728E-03      
 22      2.0858530E+00          1.37676070643E-03      
S   22
  1      1.8282209E+08          3.17165613444E-07      
  2      2.7356156E+07          2.16378921200E-06      
  3      6.2211704E+06          5.84346175068E-06      
  4      1.7602779E+06          1.56026785596E-05      
  5      5.7319382E+05          3.90666497833E-05      
  6      2.0625845E+05          9.85276583973E-05      
  7      8.0026669E+04          2.45652937030E-04      
  8      3.2939084E+04          6.08335502807E-04      
  9      1.4222633E+04          1.48246637214E-03      
 10      6.3930707E+03          3.51540292472E-03      
 11      2.9764538E+03          8.03550097533E-03      
 12      1.4305254E+03          1.72665389249E-02      
 13      7.0792621E+02          3.41093042205E-02      
 14      3.5984847E+02          5.81551017829E-02      
 15      1.8714965E+02          7.64259959239E-02      
 16      9.8634523E+01          4.06222505769E-02      
 17      5.0547869E+01         -1.21710805385E-01      
 18      2.7167004E+01         -3.83220655553E-01      
 19      1.4615098E+01         -3.79205904309E-01      
 20      7.6513520E+00          1.36926293151E-01      
 21      3.9972630E+00          6.52029279656E-01      
 22      2.0858530E+00          4.56892263279E-01      
S   22
  1      1.8282209E+08         -1.01268291514E-07      
  2      2.7356156E+07         -6.90849782595E-07      
  3      6.2211704E+06         -1.86592596844E-06      
  4      1.7602779E+06         -4.98175040177E-06      
  5      5.7319382E+05         -1.24769573508E-05      
  6      2.0625845E+05         -3.14592359425E-05      
  7      8.0026669E+04         -7.84750876468E-05      
  8      3.2939084E+04         -1.94241782155E-04      
  9      1.4222633E+04         -4.73758795279E-04      
 10      6.3930707E+03         -1.12275760902E-03      
 11      2.9764538E+03         -2.57046384711E-03      
 12      1.4305254E+03         -5.52204422551E-03      
 13      7.0792621E+02         -1.09485472211E-02      
 14      3.5984847E+02         -1.86979497489E-02      
 15      1.8714965E+02         -2.48256904939E-02      
 16      9.8634523E+01         -1.31707935199E-02      
 17      5.0547869E+01          4.07281304317E-02      
 18      2.7167004E+01          1.36294285731E-01      
 19      1.4615098E+01          1.39044857000E-01      
 20      7.6513520E+00         -5.86566558794E-02      
 21      3.9972630E+00         -3.34498418463E-01      
 22      2.0858530E+00         -4.20216884613E-01      
S   1
  1      1.0147970E+00          1.0000000        
S   1
  1      5.1978800E-01          1.0000000        
S   1
  1      2.4510300E-01          1.0000000        
S   1
  1      1.1189600E-01          1.0000000        
P   13
  1      4.2993056E+04          1.34271424257E-04      
  2      1.0173723E+04          4.80625714437E-04      
  3      3.3031057E+03          2.11340696178E-03      
  4      1.2635400E+03          8.10004408360E-03      
  5      5.3636546E+02          2.75418355420E-02      
  6      2.4487617E+02          7.87514861695E-02      
  7      1.1799117E+02          1.80764590150E-01      
  8      5.9021248E+01          3.08653834735E-01      
  9      3.0356067E+01          3.42987745527E-01      
 10      1.5819977E+01          1.94917175126E-01      
 11      8.1045800E+00          4.13830760738E-02      
 12      4.0979640E+00          2.33925792467E-03      
 13      2.0560610E+00          6.73075220460E-04      
P   13
  1      4.2993056E+04         -5.48858970206E-05      
  2      1.0173723E+04         -1.96893143731E-04      
  3      3.3031057E+03         -8.68744840078E-04      
  4      1.2635400E+03         -3.34834643127E-03      
  5      5.3636546E+02         -1.15307752332E-02      
  6      2.4487617E+02         -3.37711382662E-02      
  7      1.1799117E+02         -8.06431360222E-02      
  8      5.9021248E+01         -1.44879962911E-01      
  9      3.0356067E+01         -1.65965543278E-01      
 10      1.5819977E+01         -9.45528060353E-03      
 11      8.1045800E+00          3.06973049989E-01      
 12      4.0979640E+00          4.82698761503E-01      
 13      2.0560610E+00          2.89266066138E-01      
P   13
  1      4.2993056E+04          1.48990318609E-05      
  2      1.0173723E+04          5.33900286603E-05      
  3      3.3031057E+03          2.36185186198E-04      
  4      1.2635400E+03          9.08681992367E-04      
  5      5.3636546E+02          3.14340530485E-03      
  6      2.4487617E+02          9.20803475324E-03      
  7      1.1799117E+02          2.21863627927E-02      
  8      5.9021248E+01          3.99727144634E-02      
  9      3.0356067E+01          4.64269080971E-02      
 10      1.5819977E+01         -3.12502466984E-03      
 11      8.1045800E+00         -1.04188505253E-01      
 12      4.0979640E+00         -1.81952337308E-01      
 13      2.0560610E+00         -1.11476600811E-01      
P   1
  1      9.5214500E-01          1.0000000        
P   1
  1      4.4477400E-01          1.0000000        
P   1
  1      1.9749600E-01          1.0000000        
P   1
  1      8.3823000E-02          1.0000000        
D   9
  1      2.0674360E+03          6.37618443234E-05      
  2      6.2569371E+02          5.42303533461E-04      
  3      2.4394679E+02          3.16076362898E-03      
  4      1.0842373E+02          1.35660163338E-02      
  5      5.2005216E+01          4.38937284414E-02      
  6      2.6115405E+01          1.11101165207E-01      
  7      1.3546748E+01          2.11943887179E-01      
  8      7.1058100E+00          2.96576798471E-01      
  9      3.7215540E+00          3.07571202455E-01      
D   1
  1      1.9291200E+00          1.0000000        
D   1
  1      9.5582600E-01          1.0000000        
D   1
  1      4.0519700E-01          1.0000000        
D   1
  1      1.7410000E-01          1.0000000        
F   1
  1      1.0940000E+00          1.0000000        
F   1
  1      5.8700000E-01          1.0000000        
F   1
  1      3.1500000E-01          1.0000000        
G   1
  1      1.1040000E+00          1.0000000        
G   1
  1      5.0100000E-01          1.0000000        
H   1
  1      9.3030000E-01          1.0000000        


name: cc-pV5Z(fi/sf/sc)
description: V5Z4P Relativistic Valence Quintuple Zeta + Polarization
elt: H
data:
HYDROGEN
S   4
  1      4.0200000E+02          2.79447478618E-04      
  2      6.0240000E+01          2.16562283627E-03      
  3      1.3730000E+01          1.12022214750E-02      
  4      3.9050000E+00          4.48798014861E-02      
S   1
  1      1.2830000E+00          1.0000000        
S   1
  1      4.6550000E-01          1.0000000        
S   1
  1      1.8110000E-01          1.0000000        
S   1
  1      7.2790000E-02          1.0000000        
P   1
  1      4.5160000E+00          1.0000000        
P   1
  1      1.7120000E+00          1.0000000        
P   1
  1      6.4900000E-01          1.0000000        
P   1
  1      2.4600000E-01          1.0000000        
D   1
  1      2.9500000E+00          1.0000000        
D   1
  1      1.2060000E+00          1.0000000        
D   1
  1      4.9300000E-01          1.0000000        
F   1
  1      8.7500000E-01          1.0000000        
F   1
  1      2.5060000E+00          1.0000000        
G   1
  1      2.3580000E+00          1.0000000        


name: cc-pV5Z(fi/sf/sc)
description: V5Z4P Relativistic Valence Quintuple Zeta + Polarization
elt: He
data:
HELIUM
S   4
  1      1.1450000E+03          3.58669217454E-04      
  2      1.7170000E+02          2.77177352157E-03      
  3      3.9070000E+01          1.42537422546E-02      
  4      1.1040000E+01          5.55731406470E-02      
S   1
  1      3.5660000E+00          1.0000000        
S   1
  1      1.2400000E+00          1.0000000        
S   1
  1      4.4730000E-01          1.0000000        
S   1
  1      1.6400000E-01          1.0000000        
P   1
  1      1.0153000E+01          1.0000000        
P   1
  1      3.6270000E+00          1.0000000        
P   1
  1      1.2960000E+00          1.0000000        
P   1
  1      4.6300000E-01          1.0000000        
D   1
  1      7.6660000E+00          1.0000000        
D   1
  1      2.6470000E+00          1.0000000        
D   1
  1      9.1400000E-01          1.0000000        
F   1
  1      5.4110000E+00          1.0000000        
F   1
  1      1.7070000E+00          1.0000000        
G   1
  1      3.4300000E+00          1.0000000        


name: cc-pV5Z(fi/sf/sc)
description: V5Z4P Relativistic Valence Quintuple Zeta + Polarization
elt: B
data:
BORON
S   10
  1      6.8260000E+04          2.38569906176E-05      
  2      1.0230000E+04          1.85306847370E-04      
  3      2.3280000E+03          9.72191153777E-04      
  4      6.6040000E+02          4.06353889818E-03      
  5      2.1620000E+02          1.44191461938E-02      
  6      7.8600000E+01          4.39440546514E-02      
  7      3.0980000E+01          1.13119176507E-01      
  8      1.2960000E+01          2.33863157955E-01      
  9      5.6590000E+00          3.53891333558E-01      
 10      2.5560000E+00          3.01375790501E-01      
S   10
  1      6.8260000E+04         -4.81380659208E-06      
  2      1.0230000E+04         -3.75060130806E-05      
  3      2.3280000E+03         -1.96073098912E-04      
  4      6.6040000E+02         -8.25982692588E-04      
  5      2.1620000E+02         -2.92800596586E-03      
  6      7.8600000E+01         -9.15054416877E-03      
  7      3.0980000E+01         -2.41274268328E-02      
  8      1.2960000E+01         -5.47856120609E-02      
  9      5.6590000E+00         -9.69488112575E-02      
 10      2.5560000E+00         -1.37443305057E-01      
S   1
  1      1.1750000E+00          1.0000000        
S   1
  1      4.2490000E-01          1.0000000        
S   1
  1      1.7120000E-01          1.0000000        
S   1
  1      6.9130000E-02          1.0000000        
P   4
  1      6.6440000E+01          8.39512577708E-04      
  2      1.5710000E+01          6.41101968975E-03      
  3      4.9360000E+00          2.80789348832E-02      
  4      1.7700000E+00          9.21361312968E-02      
P   1
  1      7.0080000E-01          1.0000000        
P   1
  1      2.9010000E-01          1.0000000        
P   1
  1      1.2110000E-01          1.0000000        
P   1
  1      4.9730000E-02          1.0000000        
D   1
  1      2.0100000E+00          1.0000000        
D   1
  1      7.9600000E-01          1.0000000        
D   1
  1      3.1600000E-01          1.0000000        
D   1
  1      1.2500000E-01          1.0000000        
F   1
  1      1.2150000E+00          1.0000000        
F   1
  1      5.2500000E-01          1.0000000        
F   1
  1      2.2700000E-01          1.0000000        
G   1
  1      1.1240000E+00          1.0000000        
G   1
  1      4.6100000E-01          1.0000000        
H   1
  1      8.3400000E-01          1.0000000        


name: cc-pV5Z(fi/sf/sc)
description: V5Z4P Relativistic Valence Quintuple Zeta + Polarization
elt: C
data:
CARBON
S   10
  1      9.6770000E+04          2.46218490302E-05      
  2      1.4500000E+04          1.91222552954E-04      
  3      3.3000000E+03          1.00299872703E-03      
  4      9.3580000E+02          4.19500654596E-03      
  5      3.0620000E+02          1.48905267426E-02      
  6      1.1130000E+02          4.53677044278E-02      
  7      4.3900000E+01          1.16601007381E-01      
  8      1.8400000E+01          2.40314107436E-01      
  9      8.0540000E+00          3.58716943231E-01      
 10      3.6370000E+00          2.93716749790E-01      
S   10
  1      9.6770000E+04         -5.25787538195E-06      
  2      1.4500000E+04         -4.09401624342E-05      
  3      3.3000000E+03         -2.14147667903E-04      
  4      9.3580000E+02         -9.01963613902E-04      
  5      3.0620000E+02         -3.20403167130E-03      
  6      1.1130000E+02         -1.00068087041E-02      
  7      4.3900000E+01         -2.64812267939E-02      
  8      1.8400000E+01         -6.02055526576E-02      
  9      8.0540000E+00         -1.07152404070E-01      
 10      3.6370000E+00         -1.44532738904E-01      
S   1
  1      1.6560000E+00          1.0000000        
S   1
  1      6.3330000E-01          1.0000000        
S   1
  1      2.5450000E-01          1.0000000        
S   1
  1      1.0190000E-01          1.0000000        
P   4
  1      1.0180000E+02          8.85978861913E-04      
  2      2.4040000E+01          6.92776110892E-03      
  3      7.5710000E+00          3.14526630839E-02      
  4      2.7320000E+00          1.03498532153E-01      
P   1
  1      1.0850000E+00          1.0000000        
P   1
  1      4.4960000E-01          1.0000000        
P   1
  1      1.8760000E-01          1.0000000        
P   1
  1      7.6060000E-02          1.0000000        
D   1
  1      3.1340000E+00          1.0000000        
D   1
  1      1.2330000E+00          1.0000000        
D   1
  1      4.8500000E-01          1.0000000        
D   1
  1      1.9100000E-01          1.0000000        
F   1
  1      2.0060000E+00          1.0000000        
F   1
  1      8.3800000E-01          1.0000000        
F   1
  1      3.5000000E-01          1.0000000        
G   1
  1      1.7530000E+00          1.0000000        
G   1
  1      6.7800000E-01          1.0000000        
H   1
  1      1.2590000E+00          1.0000000        


name: cc-pV5Z(fi/sf/sc)
description: V5Z4P Relativistic Valence Quintuple Zeta + Polarization
elt: N
data:
NITROGEN
S   10
  1      1.2920000E+05          2.54592771313E-05      
  2      1.9350000E+04          1.97697681100E-04      
  3      4.4040000E+03          1.03713219353E-03      
  4      1.2480000E+03          4.34120125641E-03      
  5      4.0800000E+02          1.54250158704E-02      
  6      1.4820000E+02          4.69623031105E-02      
  7      5.8500000E+01          1.20255306598E-01      
  8      2.4590000E+01          2.45790435876E-01      
  9      1.0810000E+01          3.61278932253E-01      
 10      4.8820000E+00          2.86982501671E-01      
S   10
  1      1.2920000E+05         -5.63941012251E-06      
  2      1.9350000E+04         -4.38829676911E-05      
  3      4.4040000E+03         -2.29757954509E-04      
  4      1.2480000E+03         -9.67669870209E-04      
  5      4.0800000E+02         -3.44671975860E-03      
  6      1.4820000E+02         -1.07517023358E-02      
  7      5.8500000E+01         -2.84822109273E-02      
  8      2.4590000E+01         -6.44222999546E-02      
  9      1.0810000E+01         -1.14620854329E-01      
 10      4.8820000E+00         -1.47761950081E-01      
S   1
  1      2.1950000E+00          1.0000000        
S   1
  1      8.7150000E-01          1.0000000        
S   1
  1      3.5040000E-01          1.0000000        
S   1
  1      1.3970000E-01          1.0000000        
P   4
  1      1.4700000E+02          8.84926140050E-04      
  2      3.4760000E+01          7.01792653206E-03      
  3      1.1000000E+01          3.25314013810E-02      
  4      3.9950000E+00          1.07600219086E-01      
P   1
  1      1.5870000E+00          1.0000000        
P   1
  1      6.5330000E-01          1.0000000        
P   1
  1      2.6860000E-01          1.0000000        
P   1
  1      1.0670000E-01          1.0000000        
D   1
  1      4.6470000E+00          1.0000000        
D   1
  1      1.8130000E+00          1.0000000        
D   1
  1      7.0700000E-01          1.0000000        
D   1
  1      2.7600000E-01          1.0000000        
F   1
  1      2.9420000E+00          1.0000000        
F   1
  1      1.2040000E+00          1.0000000        
F   1
  1      4.9300000E-01          1.0000000        
G   1
  1      2.5110000E+00          1.0000000        
G   1
  1      9.4200000E-01          1.0000000        
H   1
  1      1.7680000E+00          1.0000000        


name: cc-pV5Z(fi/sf/sc)
description: V5Z4P Relativistic Valence Quintuple Zeta + Polarization
elt: O
data:
OXYGEN
S   10
  1      1.6420000E+05          2.65325747973E-05      
  2      2.4590000E+04          2.06117402314E-04      
  3      5.5920000E+03          1.08240600667E-03      
  4      1.5820000E+03          4.54374395837E-03      
  5      5.1610000E+02          1.61673060174E-02      
  6      1.8720000E+02          4.92096718806E-02      
  7      7.3930000E+01          1.25032374064E-01      
  8      3.1220000E+01          2.51779468151E-01      
  9      1.3810000E+01          3.62200414000E-01      
 10      6.2560000E+00          2.78595826640E-01      
S   10
  1      1.6420000E+05         -6.03111076781E-06      
  2      2.4590000E+04         -4.69316222192E-05      
  3      5.5920000E+03         -2.46130721305E-04      
  4      1.5820000E+03         -1.03893035378E-03      
  5      5.1610000E+02         -3.71126457219E-03      
  6      1.8720000E+02         -1.15724638695E-02      
  7      7.3930000E+01         -3.05549518616E-02      
  8      3.1220000E+01         -6.83336402215E-02      
  9      1.3810000E+01         -1.20570561303E-01      
 10      6.2560000E+00         -1.48202843604E-01      
S   1
  1      2.7760000E+00          1.0000000        
S   1
  1      1.1380000E+00          1.0000000        
S   1
  1      4.6000000E-01          1.0000000        
S   1
  1      1.8290000E-01          1.0000000        
P   4
  1      1.9550000E+02          9.20570909703E-04      
  2      4.6160000E+01          7.38866892119E-03      
  3      1.4580000E+01          3.49307930958E-02      
  4      5.2960000E+00          1.15327793480E-01      
P   1
  1      2.0940000E+00          1.0000000        
P   1
  1      8.4710000E-01          1.0000000        
P   1
  1      3.3680000E-01          1.0000000        
P   1
  1      1.2850000E-01          1.0000000        
D   1
  1      5.8790000E+00          1.0000000        
D   1
  1      2.3070000E+00          1.0000000        
D   1
  1      9.0500000E-01          1.0000000        
D   1
  1      3.5500000E-01          1.0000000        
F   1
  1      4.0160000E+00          1.0000000        
F   1
  1      1.5540000E+00          1.0000000        
F   1
  1      6.0100000E-01          1.0000000        
G   1
  1      3.3500000E+00          1.0000000        
G   1
  1      1.1890000E+00          1.0000000        
H   1
  1      2.3190000E+00          1.0000000        


name: cc-pV5Z(fi/sf/sc)
description: V5Z4P Relativistic Valence Quintuple Zeta + Polarization
elt: F
data:
FLUORINE
S   10
  1      2.1140000E+05          2.61313714653E-05      
  2      3.1660000E+04          2.03010993996E-04      
  3      7.2020000E+03          1.06437099753E-03      
  4      2.0400000E+03          4.45973614407E-03      
  5      6.6640000E+02          1.58399825590E-02      
  6      2.4200000E+02          4.82670384311E-02      
  7      9.5530000E+01          1.23453399091E-01      
  8      4.0230000E+01          2.51636268788E-01      
  9      1.7720000E+01          3.64223915068E-01      
 10      8.0050000E+00          2.79170831161E-01      
S   10
  1      2.1140000E+05         -6.05525662249E-06      
  2      3.1660000E+04         -4.71196639435E-05      
  3      7.2020000E+03         -2.46736892032E-04      
  4      2.0400000E+03         -1.03947012125E-03      
  5      6.6640000E+02         -3.70701310730E-03      
  6      2.4200000E+02         -1.15704967896E-02      
  7      9.5530000E+01         -3.07708672097E-02      
  8      4.0230000E+01         -6.97117452734E-02      
  9      1.7720000E+01         -1.24036273354E-01      
 10      8.0050000E+00         -1.49837708620E-01      
S   1
  1      3.5380000E+00          1.0000000        
S   1
  1      1.4580000E+00          1.0000000        
S   1
  1      5.8870000E-01          1.0000000        
S   1
  1      2.3240000E-01          1.0000000        
P   4
  1      2.4190000E+02          1.00774073295E-03      
  2      5.7170000E+01          8.07639319690E-03      
  3      1.8130000E+01          3.80905782602E-02      
  4      6.6240000E+00          1.23814058772E-01      
P   1
  1      2.6220000E+00          1.0000000        
P   1
  1      1.0570000E+00          1.0000000        
P   1
  1      4.1760000E-01          1.0000000        
P   1
  1      1.5740000E-01          1.0000000        
D   1
  1      7.7600000E+00          1.0000000        
D   1
  1      3.0320000E+00          1.0000000        
D   1
  1      1.1850000E+00          1.0000000        
D   1
  1      4.6300000E-01          1.0000000        
F   1
  1      5.3980000E+00          1.0000000        
F   1
  1      2.0780000E+00          1.0000000        
F   1
  1      8.0000000E-01          1.0000000        
G   1
  1      4.3380000E+00          1.0000000        
G   1
  1      1.5130000E+00          1.0000000        
H   1
  1      2.9950000E+00          1.0000000        


name: cc-pV5Z(fi/sf/sc)
description: V5Z4P Relativistic Valence Quintuple Zeta + Polarization
elt: Ne
data:
NEON
S   10
  1      2.6270000E+05          2.60702775423E-05      
  2      3.9350000E+04          2.02322397203E-04      
  3      8.9550000E+03          1.06033548259E-03      
  4      2.5380000E+03          4.43347323942E-03      
  5      8.2990000E+02          1.57400593658E-02      
  6      3.0150000E+02          4.79498849539E-02      
  7      1.1900000E+02          1.23219022890E-01      
  8      5.0000000E+01          2.52630627249E-01      
  9      2.1980000E+01          3.65933415975E-01      
 10      9.8910000E+00          2.78874775847E-01      
S   10
  1      2.6270000E+05         -6.13306131911E-06      
  2      3.9350000E+04         -4.76616152070E-05      
  3      8.9550000E+03         -2.49578650574E-04      
  4      2.5380000E+03         -1.04869501772E-03      
  5      8.2990000E+02         -3.74115320016E-03      
  6      3.0150000E+02         -1.16655319385E-02      
  7      1.1900000E+02         -3.12241447532E-02      
  8      5.0000000E+01         -7.11519367419E-02      
  9      2.1980000E+01         -1.27323782667E-01      
 10      9.8910000E+00         -1.50721131921E-01      
S   1
  1      4.3270000E+00          1.0000000        
S   1
  1      1.8040000E+00          1.0000000        
S   1
  1      7.2880000E-01          1.0000000        
S   1
  1      2.8670000E-01          1.0000000        
P   4
  1      2.9910000E+02          1.04615921498E-03      
  2      7.0730000E+01          8.40554116150E-03      
  3      2.2480000E+01          3.97543634549E-02      
  4      8.2460000E+00          1.28109619116E-01      
P   1
  1      3.2690000E+00          1.0000000        
P   1
  1      1.3150000E+00          1.0000000        
P   1
  1      5.1580000E-01          1.0000000        
P   1
  1      1.9180000E-01          1.0000000        
D   1
  1      9.8370000E+00          1.0000000        
D   1
  1      3.8440000E+00          1.0000000        
D   1
  1      1.5020000E+00          1.0000000        
D   1
  1      5.8700000E-01          1.0000000        
F   1
  1      7.0900000E+00          1.0000000        
F   1
  1      2.7380000E+00          1.0000000        
F   1
  1      1.0570000E+00          1.0000000        
G   1
  1      5.4600000E+00          1.0000000        
G   1
  1      1.8800000E+00          1.0000000        
H   1
  1      3.7760000E+00          1.0000000        


name: cc-pV5Z(fi/sf/sc)
description: V5Z4P Relativistic Valence Quintuple Zeta + Polarization
elt: Al
data:
ALUMINUM
S   16
  1      3.2690000E+06          2.17460493289E-06      
  2      4.8940000E+05          1.70226754661E-05      
  3      1.1140000E+05          8.93251129157E-05      
  4      3.1560000E+04          3.75626980262E-04      
  5      1.0320000E+04          1.35941215071E-03      
  6      3.7310000E+03          4.41131455391E-03      
  7      1.4560000E+03          1.30245898226E-02      
  8      6.0410000E+02          3.50777246188E-02      
  9      2.6350000E+02          8.47531302620E-02      
 10      1.1980000E+02          1.76283112856E-01      
 11      5.6320000E+01          2.91972079729E-01      
 12      2.7190000E+01          3.27250736030E-01      
 13      1.3260000E+01          1.85918348867E-01      
 14      6.0520000E+00          3.08013098735E-02      
 15      2.9810000E+00         -5.01206266097E-04      
 16      1.4760000E+00          1.47528970558E-03      
S   16
  1      3.2690000E+06         -5.67126887399E-07      
  2      4.8940000E+05         -4.44190054135E-06      
  3      1.1140000E+05         -2.32941904851E-05      
  4      3.1560000E+04         -9.80927515849E-05      
  5      1.0320000E+04         -3.54960865604E-04      
  6      3.7310000E+03         -1.15699678923E-03      
  7      1.4560000E+03         -3.43396440490E-03      
  8      6.0410000E+02         -9.41930678420E-03      
  9      2.6350000E+02         -2.34964640723E-02      
 10      1.1980000E+02         -5.26412951162E-02      
 11      5.6320000E+01         -1.00179075926E-01      
 12      2.7190000E+01         -1.50331518478E-01      
 13      1.3260000E+01         -1.17548676604E-01      
 14      6.0520000E+00          1.10558423687E-01      
 15      2.9810000E+00          4.12189334811E-01      
 16      1.4760000E+00          4.55720240416E-01      
S   16
  1      3.2690000E+06          1.31005061240E-07      
  2      4.8940000E+05          1.02504776919E-06      
  3      1.1140000E+05          5.38336781863E-06      
  4      3.1560000E+04          2.26269887030E-05      
  5      1.0320000E+04          8.20834827858E-05      
  6      3.7310000E+03          2.66820709027E-04      
  7      1.4560000E+03          7.95164292222E-04      
  8      6.0410000E+02          2.17453500500E-03      
  9      2.6350000E+02          5.46640970577E-03      
 10      1.1980000E+02          1.22362390889E-02      
 11      5.6320000E+01          2.37460559108E-02      
 12      2.7190000E+01          3.60278306471E-02      
 13      1.3260000E+01          2.99538603442E-02      
 14      6.0520000E+00         -3.17002351991E-02      
 15      2.9810000E+00         -1.19476344970E-01      
 16      1.4760000E+00         -2.11587942203E-01      
S   1
  1      7.3340000E-01          1.0000000        
S   1
  1      2.4470000E-01          1.0000000        
S   1
  1      1.0880000E-01          1.0000000        
S   1
  1      4.6720000E-02          1.0000000        
P   8
  1      1.4610000E+03          2.13283781204E-04      
  2      3.4620000E+02          1.83208309306E-03      
  3      1.1220000E+02          9.79943092778E-03      
  4      4.2510000E+01          3.79607879639E-02      
  5      1.7720000E+01          1.11064563212E-01      
  6      7.8520000E+00          2.34302884729E-01      
  7      3.5710000E+00          3.44993730861E-01      
  8      1.6370000E+00          3.31027854422E-01      
P   8
  1      1.4610000E+03         -3.80066457934E-05      
  2      3.4620000E+02         -3.32282908993E-04      
  3      1.1220000E+02         -1.75308202505E-03      
  4      4.2510000E+01         -6.96726991376E-03      
  5      1.7720000E+01         -2.02939591316E-02      
  6      7.8520000E+00         -4.48201557321E-02      
  7      3.5710000E+00         -6.42088962561E-02      
  8      1.6370000E+00         -7.50992283811E-02      
P   1
  1      7.3820000E-01          1.0000000        
P   1
  1      2.5770000E-01          1.0000000        
P   1
  1      9.7730000E-02          1.0000000        
P   1
  1      3.6900000E-02          1.0000000        
D   1
  1      1.3170000E+00          1.0000000        
D   1
  1      5.2600000E-01          1.0000000        
D   1
  1      2.1000000E-01          1.0000000        
D   1
  1      8.4000000E-02          1.0000000        
F   1
  1      5.1300000E-01          1.0000000        
F   1
  1      2.5800000E-01          1.0000000        
F   1
  1      1.3000000E-01          1.0000000        
G   1
  1      5.4300000E-01          1.0000000        
G   1
  1      2.5200000E-01          1.0000000        
H   1
  1      4.4600000E-01          1.0000000        


name: cc-pV5Z(fi/sf/sc)
description: V5Z4P Relativistic Valence Quintuple Zeta + Polarization
elt: Si
data:
SILICON
S   16
  1      3.9480000E+06          2.07433602070E-06      
  2      5.9110000E+05          1.62792397859E-05      
  3      1.3450000E+05          8.53685055315E-05      
  4      3.8120000E+04          3.58745719638E-04      
  5      1.2460000E+04          1.29933851214E-03      
  6      4.5040000E+03          4.21329578525E-03      
  7      1.7580000E+03          1.24478205177E-02      
  8      7.2910000E+02          3.36014790930E-02      
  9      3.1800000E+02          8.14437495421E-02      
 10      1.4460000E+02          1.70739831733E-01      
 11      6.7970000E+01          2.86784524536E-01      
 12      3.2820000E+01          3.29251833209E-01      
 13      1.6030000E+01          1.95394107232E-01      
 14      7.3960000E+00          3.51369794589E-02      
 15      3.6610000E+00         -5.27072951616E-04      
 16      1.8230000E+00          1.59801771120E-03      
S   16
  1      3.9480000E+06         -5.54283933306E-07      
  2      5.9110000E+05         -4.35199640965E-06      
  3      1.3450000E+05         -2.28109269583E-05      
  4      3.8120000E+04         -9.59750315069E-05      
  5      1.2460000E+04         -3.47640087381E-04      
  6      4.5040000E+03         -1.13191855093E-03      
  7      1.7580000E+03         -3.36216674919E-03      
  8      7.2910000E+02         -9.23622551016E-03      
  9      3.1800000E+02         -2.31052859563E-02      
 10      1.4460000E+02         -5.20581328856E-02      
 11      6.7970000E+01         -1.00197156045E-01      
 12      3.2820000E+01         -1.52508864517E-01      
 13      1.6030000E+01         -1.25699220481E-01      
 14      7.3960000E+00          9.76558505950E-02      
 15      3.6610000E+00          4.15428334303E-01      
 16      1.8230000E+00          4.66091129819E-01      
S   16
  1      3.9480000E+06          1.42311430902E-07      
  2      5.9110000E+05          1.11635414081E-06      
  3      1.3450000E+05          5.85911657098E-06      
  4      3.8120000E+04          2.46096347797E-05      
  5      1.2460000E+04          8.93452169215E-05      
  6      4.5040000E+03          2.90193510594E-04      
  7      1.7580000E+03          8.65250726738E-04      
  8      7.2910000E+02          2.37081643193E-03      
  9      3.1800000E+02          5.97492264564E-03      
 10      1.4460000E+02          1.34624443427E-02      
 11      6.7970000E+01          2.64179918416E-02      
 12      3.2820000E+01          4.07576433927E-02      
 13      1.6030000E+01          3.56966606263E-02      
 14      7.3960000E+00         -3.14316646064E-02      
 15      3.6610000E+00         -1.36977882809E-01      
 16      1.8230000E+00         -2.50849073576E-01      
S   1
  1      9.1470000E-01          1.0000000        
S   1
  1      3.3930000E-01          1.0000000        
S   1
  1      1.5000000E-01          1.0000000        
S   1
  1      6.4380000E-02          1.0000000        
P   8
  1      1.7800000E+03          2.06584293419E-04      
  2      4.2180000E+02          1.77502567217E-03      
  3      1.3670000E+02          9.55903855051E-03      
  4      5.1810000E+01          3.73964895332E-02      
  5      2.1600000E+01          1.10979474304E-01      
  6      9.5630000E+00          2.37970050928E-01      
  7      4.3500000E+00          3.53386318127E-01      
  8      2.0060000E+00          3.28299113872E-01      
P   8
  1      1.7800000E+03         -4.35605679836E-05      
  2      4.2180000E+02         -3.80126563968E-04      
  3      1.3670000E+02         -2.02490264104E-03      
  4      5.1810000E+01         -8.11316898978E-03      
  5      2.1600000E+01         -2.41021018704E-02      
  6      9.5630000E+00         -5.40404051495E-02      
  7      4.3500000E+00         -7.92069297888E-02      
  8      2.0060000E+00         -8.84593853434E-02      
P   1
  1      9.2050000E-01          1.0000000        
P   1
  1      3.5000000E-01          1.0000000        
P   1
  1      1.3810000E-01          1.0000000        
P   1
  1      5.3380000E-02          1.0000000        
D   1
  1      2.0820000E+00          1.0000000        
D   1
  1      8.1700000E-01          1.0000000        
D   1
  1      3.2100000E-01          1.0000000        
D   1
  1      1.2600000E-01          1.0000000        
F   1
  1      6.8800000E-01          1.0000000        
F   1
  1      3.4100000E-01          1.0000000        
F   1
  1      1.6900000E-01          1.0000000        
G   1
  1      7.0500000E-01          1.0000000        
G   1
  1      3.2000000E-01          1.0000000        
H   1
  1      5.8300000E-01          1.0000000        


name: cc-pV5Z(fi/sf/sc)
description: V5Z4P Relativistic Valence Quintuple Zeta + Polarization
elt: P
data:
PHOSPHOROUS
S   16
  1      4.6660000E+06          2.00625948693E-06      
  2      6.9860000E+05          1.57851626652E-05      
  3      1.5900000E+05          8.27191968947E-05      
  4      4.5040000E+04          3.47981740069E-04      
  5      1.4720000E+04          1.25829260364E-03      
  6      5.3230000E+03          4.08212033501E-03      
  7      2.0760000E+03          1.20749959859E-02      
  8      8.6110000E+02          3.25793828912E-02      
  9      3.7570000E+02          7.91878199826E-02      
 10      1.7080000E+02          1.66984667048E-01      
 11      8.0290000E+01          2.82965877820E-01      
 12      3.8770000E+01          3.30720030768E-01      
 13      1.8930000E+01          2.01934619776E-01      
 14      8.7960000E+00          3.79262136063E-02      
 15      4.3580000E+00         -3.77754956312E-04      
 16      2.1740000E+00          1.56790276625E-03      
S   16
  1      4.6660000E+06         -5.47280780258E-07      
  2      6.9860000E+05         -4.30782253926E-06      
  3      1.5900000E+05         -2.25646969355E-05      
  4      4.5040000E+04         -9.50328712028E-05      
  5      1.4720000E+04         -3.43691296061E-04      
  6      5.3230000E+03         -1.11941888181E-03      
  7      2.0760000E+03         -3.32920736007E-03      
  8      8.6110000E+02         -9.13757958537E-03      
  9      3.7570000E+02         -2.29153135850E-02      
 10      1.7080000E+02         -5.18709890995E-02      
 11      8.0290000E+01         -1.00539197602E-01      
 12      3.8770000E+01         -1.54822598262E-01      
 13      1.8930000E+01         -1.31739057945E-01      
 14      8.7960000E+00          9.13598177965E-02      
 15      4.3580000E+00          4.24310336678E-01      
 16      2.1740000E+00          4.72587863026E-01      
S   16
  1      4.6660000E+06          1.50928458975E-07      
  2      6.9860000E+05          1.18717155037E-06      
  3      1.5900000E+05          6.22490572898E-06      
  4      4.5040000E+04          2.61821918954E-05      
  5      1.4720000E+04          9.48599390639E-05      
  6      5.3230000E+03          3.08393623831E-04      
  7      2.0760000E+03          9.20024262870E-04      
  8      8.6110000E+02          2.52099999358E-03      
  9      3.7570000E+02          6.36339828651E-03      
 10      1.7080000E+02          1.44274846984E-02      
 11      8.0290000E+01          2.84773743742E-02      
 12      3.8770000E+01          4.46141737823E-02      
 13      1.8930000E+01          4.01968912762E-02      
 14      8.7960000E+00         -3.15047604922E-02      
 15      4.3580000E+00         -1.54666605422E-01      
 16      2.1740000E+00         -2.83439699342E-01      
S   1
  1      1.0950000E+00          1.0000000        
S   1
  1      4.4000000E-01          1.0000000        
S   1
  1      1.9450000E-01          1.0000000        
S   1
  1      8.3760000E-02          1.0000000        
P   8
  1      2.0100000E+03          2.22520666172E-04      
  2      4.7630000E+02          1.90694913309E-03      
  3      1.5440000E+02          1.02700233791E-02      
  4      5.8510000E+01          4.01902343711E-02      
  5      2.4400000E+01          1.18821608560E-01      
  6      1.0800000E+01          2.51840773227E-01      
  7      4.9130000E+00          3.66123630500E-01      
  8      2.2690000E+00          3.15432988672E-01      
P   8
  1      2.0100000E+03         -5.23796028817E-05      
  2      4.7630000E+02         -4.53032182287E-04      
  3      1.5440000E+02         -2.43076734407E-03      
  4      5.8510000E+01         -9.68737185670E-03      
  5      2.4400000E+01         -2.89720322412E-02      
  6      1.0800000E+01         -6.37358775547E-02      
  7      4.9130000E+00         -9.38158184818E-02      
  8      2.2690000E+00         -9.26433217982E-02      
P   1
  1      1.0430000E+00          1.0000000        
P   1
  1      4.3130000E-01          1.0000000        
P   1
  1      1.7670000E-01          1.0000000        
P   1
  1      7.0090000E-02          1.0000000        
D   1
  1      2.6560000E+00          1.0000000        
D   1
  1      1.0540000E+00          1.0000000        
D   1
  1      4.1800000E-01          1.0000000        
D   1
  1      1.6600000E-01          1.0000000        
F   1
  1      9.2300000E-01          1.0000000        
F   1
  1      4.5000000E-01          1.0000000        
F   1
  1      2.1900000E-01          1.0000000        
G   1
  1      9.0300000E-01          1.0000000        
G   1
  1      4.1200000E-01          1.0000000        
H   1
  1      7.4500000E-01          1.0000000        


name: cc-pV5Z(fi/sf/sc)
description: V5Z4P Relativistic Valence Quintuple Zeta + Polarization
elt: S
data:
SULFUR
S   16
  1      5.4810000E+06          1.93404348483E-06      
  2      8.2060000E+05          1.52585987639E-05      
  3      1.8670000E+05          7.99709879130E-05      
  4      5.2880000E+04          3.36318478681E-04      
  5      1.7250000E+04          1.22178951456E-03      
  6      6.2260000E+03          3.96013665614E-03      
  7      2.4290000E+03          1.17143507054E-02      
  8      1.0070000E+03          3.16418549429E-02      
  9      4.3950000E+02          7.70290138461E-02      
 10      1.9980000E+02          1.63309420547E-01      
 11      9.3920000E+01          2.79280615703E-01      
 12      4.5340000E+01          3.31785283597E-01      
 13      2.2150000E+01          2.08192948428E-01      
 14      1.0340000E+01          4.11219749300E-02      
 15      5.1190000E+00         -4.42601142960E-04      
 16      2.5530000E+00          1.66563330368E-03      
S   16
  1      5.4810000E+06         -5.37050885786E-07      
  2      8.2060000E+05         -4.23848340513E-06      
  3      1.8670000E+05         -2.22075183087E-05      
  4      5.2880000E+04         -9.34835419932E-05      
  5      1.7250000E+04         -3.39735814548E-04      
  6      6.2260000E+03         -1.10520080603E-03      
  7      2.4290000E+03         -3.28768102056E-03      
  8      1.0070000E+03         -9.02807839669E-03      
  9      4.3950000E+02         -2.26747480326E-02      
 10      1.9980000E+02         -5.15219109448E-02      
 11      9.3920000E+01         -1.00636881260E-01      
 12      4.5340000E+01         -1.56514434801E-01      
 13      2.2150000E+01         -1.37366111166E-01      
 14      1.0340000E+01          8.50900353015E-02      
 15      5.1190000E+00          4.32878621024E-01      
 16      2.5530000E+00          4.78834212449E-01      
S   16
  1      5.4810000E+06          1.56092884715E-07      
  2      8.2060000E+05          1.23118992819E-06      
  3      1.8670000E+05          6.45634731586E-06      
  4      5.2880000E+04          2.71488802002E-05      
  5      1.7250000E+04          9.88128216324E-05      
  6      6.2260000E+03          3.20975841523E-04      
  7      2.4290000E+03          9.57390456692E-04      
  8      1.0070000E+03          2.62615036797E-03      
  9      4.3950000E+02          6.63536358789E-03      
 10      1.9980000E+02          1.51161876146E-02      
 11      9.3920000E+01          3.00495440995E-02      
 12      4.5340000E+01          4.76595981291E-02      
 13      2.2150000E+01          4.42083440375E-02      
 14      1.0340000E+01         -3.08702954343E-02      
 15      5.1190000E+00         -1.70435054778E-01      
 16      2.5530000E+00         -3.11080642964E-01      
S   1
  1      1.2820000E+00          1.0000000        
S   1
  1      5.4500000E-01          1.0000000        
S   1
  1      2.4110000E-01          1.0000000        
S   1
  1      1.0350000E-01          1.0000000        
P   8
  1      2.2000000E+03          2.47310982281E-04      
  2      5.2140000E+02          2.11651577007E-03      
  3      1.6900000E+02          1.13571224500E-02      
  4      6.4050000E+01          4.43280898385E-02      
  5      2.6720000E+01          1.29488870535E-01      
  6      1.1830000E+01          2.69105871183E-01      
  7      5.3780000E+00          3.78065338134E-01      
  8      2.4820000E+00          2.95938578060E-01      
P   8
  1      2.2000000E+03         -6.29553138980E-05      
  2      5.2140000E+02         -5.40400399385E-04      
  3      1.6900000E+02         -2.90981828913E-03      
  4      6.4050000E+01         -1.15032124632E-02      
  5      2.6720000E+01         -3.43498016438E-02      
  6      1.1830000E+01         -7.35097268792E-02      
  7      5.3780000E+00         -1.07592764043E-01      
  8      2.4820000E+00         -8.73008877983E-02      
P   1
  1      1.1160000E+00          1.0000000        
P   1
  1      4.8480000E-01          1.0000000        
P   1
  1      2.0060000E-01          1.0000000        
P   1
  1      7.9510000E-02          1.0000000        
D   1
  1      3.2030000E+00          1.0000000        
D   1
  1      1.2810000E+00          1.0000000        
D   1
  1      5.1200000E-01          1.0000000        
D   1
  1      2.0500000E-01          1.0000000        
F   1
  1      1.0960000E+00          1.0000000        
F   1
  1      5.2900000E-01          1.0000000        
F   1
  1      2.5500000E-01          1.0000000        
G   1
  1      1.0710000E+00          1.0000000        
G   1
  1      4.6300000E-01          1.0000000        
H   1
  1      8.7200000E-01          1.0000000        


name: cc-pV5Z(fi/sf/sc)
description: V5Z4P Relativistic Valence Quintuple Zeta + Polarization
elt: Cl
data:
CHLORINE
S   16
  1      6.4100000E+06          1.85392970406E-06      
  2      9.5960000E+05          1.46950521248E-05      
  3      2.1830000E+05          7.69166299138E-05      
  4      6.1810000E+04          3.24050641710E-04      
  5      2.0140000E+04          1.17716771948E-03      
  6      7.2640000E+03          3.82239555321E-03      
  7      2.8320000E+03          1.12931458323E-02      
  8      1.1750000E+03          3.05199668556E-02      
  9      5.1260000E+02          7.45740902270E-02      
 10      2.3300000E+02          1.58958026930E-01      
 11      1.0950000E+02          2.74749621254E-01      
 12      5.2860000E+01          3.32577843274E-01      
 13      2.5840000E+01          2.15697779908E-01      
 14      1.2170000E+01          4.51455606487E-02      
 15      6.0300000E+00         -1.30670604784E-04      
 16      3.0120000E+00          1.61411726708E-03      
S   16
  1      6.4100000E+06         -5.22827651992E-07      
  2      9.5960000E+05         -4.14530860590E-06      
  3      2.1830000E+05         -2.16928283416E-05      
  4      6.1810000E+04         -9.14687027893E-05      
  5      2.0140000E+04         -3.32441509281E-04      
  6      7.2640000E+03         -1.08316808069E-03      
  7      2.8320000E+03         -3.21848294875E-03      
  8      1.1750000E+03         -8.83724766372E-03      
  9      5.1260000E+02         -2.22698203230E-02      
 10      2.3300000E+02         -5.07845557435E-02      
 11      1.0950000E+02         -1.00026103993E-01      
 12      5.2860000E+01         -1.57359029112E-01      
 13      2.5840000E+01         -1.43374078148E-01      
 14      1.2170000E+01          7.38988451325E-02      
 15      6.0300000E+00          4.32841474765E-01      
 16      3.0120000E+00          4.87479083140E-01      
S   16
  1      6.4100000E+06          1.58244446631E-07      
  2      9.5960000E+05          1.25404213410E-06      
  3      2.1830000E+05          6.56732192768E-06      
  4      6.1810000E+04          2.76661665459E-05      
  5      2.0140000E+04          1.00682594997E-04      
  6      7.2640000E+03          3.27650755606E-04      
  7      2.8320000E+03          9.75895453058E-04      
  8      1.1750000E+03          2.67773133308E-03      
  9      5.1260000E+02          6.78567441990E-03      
 10      2.3300000E+02          1.55251710920E-02      
 11      1.0950000E+02          3.11045643754E-02      
 12      5.2860000E+01          4.99814101481E-02      
 13      2.5840000E+01          4.80728651034E-02      
 14      1.2170000E+01         -2.79415639138E-02      
 15      6.0300000E+00         -1.80105692303E-01      
 16      3.0120000E+00         -3.31911096680E-01      
S   1
  1      1.5110000E+00          1.0000000        
S   1
  1      6.6040000E-01          1.0000000        
S   1
  1      2.9260000E-01          1.0000000        
S   1
  1      1.2540000E-01          1.0000000        
P   8
  1      2.5480000E+03          2.45075948550E-04      
  2      6.0370000E+02          2.09697633286E-03      
  3      1.9560000E+02          1.12950832155E-02      
  4      7.4150000E+01          4.42902719820E-02      
  5      3.0940000E+01          1.30393357187E-01      
  6      1.3690000E+01          2.73032875814E-01      
  7      6.2290000E+00          3.83087932413E-01      
  8      2.8780000E+00          2.90899534310E-01      
P   8
  1      2.5480000E+03         -6.60801091211E-05      
  2      6.0370000E+02         -5.65584718746E-04      
  3      1.9560000E+02         -3.06666853092E-03      
  4      7.4150000E+01         -1.21502381682E-02      
  5      3.0940000E+01         -3.67431945878E-02      
  6      1.3690000E+01         -7.90491749582E-02      
  7      6.2290000E+00         -1.17163208958E-01      
  8      2.8780000E+00         -8.54453963704E-02      
P   1
  1      1.2820000E+00          1.0000000        
P   1
  1      5.6410000E-01          1.0000000        
P   1
  1      2.3480000E-01          1.0000000        
P   1
  1      9.3120000E-02          1.0000000        
D   1
  1      3.7810000E+00          1.0000000        
D   1
  1      1.5290000E+00          1.0000000        
D   1
  1      6.1800000E-01          1.0000000        
D   1
  1      2.5000000E-01          1.0000000        
F   1
  1      1.3450000E+00          1.0000000        
F   1
  1      6.5600000E-01          1.0000000        
F   1
  1      3.2000000E-01          1.0000000        
G   1
  1      1.3020000E+00          1.0000000        
G   1
  1      5.5600000E-01          1.0000000        
H   1
  1      1.0530000E+00          1.0000000        


name: cc-pV5Z(fi/sf/sc)
description: V5Z4P Relativistic Valence Quintuple Zeta + Polarization
elt: Ar
data:
ARGON
S   16
  1      7.4010000E+06          1.78855199174E-06      
  2      1.1080000E+06          1.42461495093E-05      
  3      2.5210000E+05          7.45325423636E-05      
  4      7.1380000E+04          3.13821578500E-04      
  5      2.3260000E+04          1.13955676140E-03      
  6      8.3900000E+03          3.69777899522E-03      
  7      3.2710000E+03          1.09302175154E-02      
  8      1.3570000E+03          2.95514319496E-02      
  9      5.9200000E+02          7.23916861697E-02      
 10      2.6910000E+02          1.54935671220E-01      
 11      1.2650000E+02          2.70462469925E-01      
 12      6.1030000E+01          3.33238643182E-01      
 13      2.9860000E+01          2.22192115839E-01      
 14      1.4170000E+01          4.92984576065E-02      
 15      7.0220000E+00          6.32412238071E-05      
 16      3.5110000E+00          1.65828467835E-03      
S   16
  1      7.4010000E+06         -5.11297031239E-07      
  2      1.1080000E+06         -4.07338672097E-06      
  3      2.5210000E+05         -2.13090653877E-05      
  4      7.1380000E+04         -8.97837839676E-05      
  5      2.3260000E+04         -3.26245715013E-04      
  6      8.3900000E+03         -1.06196656360E-03      
  7      3.2710000E+03         -3.15749388673E-03      
  8      1.3570000E+03         -8.66787332882E-03      
  9      5.9200000E+02         -2.18939032147E-02      
 10      2.6910000E+02         -5.00422738472E-02      
 11      1.2650000E+02         -9.93427380550E-02      
 12      6.1030000E+01         -1.58023549072E-01      
 13      2.9860000E+01         -1.48486324153E-01      
 14      1.4170000E+01          6.35641637764E-02      
 15      7.0220000E+00          4.32323695580E-01      
 16      3.5110000E+00          4.95268253510E-01      
S   16
  1      7.4010000E+06          1.59855855357E-07      
  2      1.1080000E+06          1.27300807862E-06      
  3      2.5210000E+05          6.66356182852E-06      
  4      7.1380000E+04          2.80550740393E-05      
  5      2.3260000E+04          1.02055877467E-04      
  6      8.3900000E+03          3.31882767848E-04      
  7      3.2710000E+03          9.88856440798E-04      
  8      1.3570000E+03          2.71367652965E-03      
  9      5.9200000E+02          6.89025964456E-03      
 10      2.6910000E+02          1.58102661886E-02      
 11      1.2650000E+02          3.19097697722E-02      
 12      6.1030000E+01          5.19164076247E-02      
 13      2.9860000E+01          5.14385457498E-02      
 14      1.4170000E+01         -2.48207784889E-02      
 15      7.0220000E+00         -1.88168985721E-01      
 16      3.5110000E+00         -3.49466591817E-01      
S   1
  1      1.7580000E+00          1.0000000        
S   1
  1      7.8410000E-01          1.0000000        
S   1
  1      3.4800000E-01          1.0000000        
S   1
  1      1.4910000E-01          1.0000000        
P   8
  1      2.9270000E+03          2.42506018323E-04      
  2      6.9350000E+02          2.07449330557E-03      
  3      2.2470000E+02          1.11946990586E-02      
  4      8.5170000E+01          4.41978834504E-02      
  5      3.5530000E+01          1.30833454121E-01      
  6      1.5730000E+01          2.75860083843E-01      
  7      7.1650000E+00          3.86939893101E-01      
  8      3.3220000E+00          2.86254124717E-01      
P   8
  1      2.9270000E+03         -6.78700634215E-05      
  2      6.9350000E+02         -5.79792014606E-04      
  3      2.2470000E+02         -3.15608468426E-03      
  4      8.5170000E+01         -1.25737745341E-02      
  5      3.5530000E+01         -3.83629765526E-02      
  6      1.5730000E+01         -8.30629863286E-02      
  7      7.1650000E+00         -1.24283719607E-01      
  8      3.3220000E+00         -8.24656954975E-02      
P   1
  1      1.4780000E+00          1.0000000        
P   1
  1      6.5520000E-01          1.0000000        
P   1
  1      2.7510000E-01          1.0000000        
P   1
  1      1.0970000E-01          1.0000000        
D   1
  1      4.7760000E+00          1.0000000        
D   1
  1      1.9170000E+00          1.0000000        
D   1
  1      7.7000000E-01          1.0000000        
D   1
  1      3.0900000E-01          1.0000000        
F   1
  1      1.6680000E+00          1.0000000        
F   1
  1      8.2500000E-01          1.0000000        
F   1
  1      4.0800000E-01          1.0000000        
G   1
  1      1.5620000E+00          1.0000000        
G   1
  1      6.6500000E-01          1.0000000        
H   1
  1      1.2640000E+00          1.0000000        


name: cc-pV5Z(fi/sf/sc)
description: V5Z4P Relativistic Valence Quintuple Zeta + Polarization
elt: Ga
data:
GALLIUM
S   22
  1      1.0861522E+08          1.54352828219E-07      
  2      1.6264540E+07          2.06068279472E-06      
  3      3.7001116E+06          1.11151953902E-05      
  4      1.0471691E+06          4.69217784643E-05      
  5      3.4106757E+05          1.69691071098E-04      
  6      1.2277154E+05          5.51763441777E-04      
  7      4.7659578E+04          1.65161915442E-03      
  8      1.9633354E+04          4.61870157285E-03      
  9      8.4887347E+03          1.21341016655E-02      
 10      3.8231381E+03          2.98631190986E-02      
 11      1.7844755E+03          6.78033275421E-02      
 12      8.6005305E+02          1.37580913376E-01      
 13      4.2669867E+02          2.35191302944E-01      
 14      2.1726161E+02          3.04303713611E-01      
 15      1.1296987E+02          2.46670548842E-01      
 16      5.9449441E+01          9.24119055392E-02      
 17      3.0782256E+01          9.29656718484E-03      
 18      1.6423212E+01          5.64882610863E-04      
 19      8.7578890E+00         -5.71073525709E-05      
 20      4.4096290E+00          1.09655765857E-05      
 21      2.2494490E+00         -6.03951415477E-05      
 22      1.1261150E+00          1.50602275972E-05      
S   22
  1      1.0861522E+08         -4.88876552683E-08      
  2      1.6264540E+07         -6.52583324180E-07      
  3      3.7001116E+06         -3.52087041497E-06      
  4      1.0471691E+06         -1.48615815688E-05      
  5      3.4106757E+05         -5.37795386441E-05      
  6      1.2277154E+05         -1.74927761720E-04      
  7      4.7659578E+04         -5.24677648065E-04      
  8      1.9633354E+04         -1.47156782847E-03      
  9      8.4887347E+03         -3.89715102496E-03      
 10      3.8231381E+03         -9.73375587121E-03      
 11      1.7844755E+03         -2.28202256606E-02      
 12      8.6005305E+02         -4.91636750547E-02      
 13      4.2669867E+02         -9.44791340968E-02      
 14      2.1726161E+02         -1.50261582401E-01      
 15      1.1296987E+02         -1.65694062476E-01      
 16      5.9449441E+01         -2.85026627763E-02      
 17      3.0782256E+01          3.12846726602E-01      
 18      1.6423212E+01          5.22462543386E-01      
 19      8.7578890E+00          2.85246598670E-01      
 20      4.4096290E+00          4.11311882426E-02      
 21      2.2494490E+00          1.31453828240E-03      
 22      1.1261150E+00          1.07356457948E-03      
S   22
  1      1.0861522E+08          1.87123264398E-08      
  2      1.6264540E+07          2.49735189324E-07      
  3      3.7001116E+06          1.34770029801E-06      
  4      1.0471691E+06          5.68710347462E-06      
  5      3.4106757E+05          2.05881537381E-05      
  6      1.2277154E+05          6.69430825260E-05      
  7      4.7659578E+04          2.00934637086E-04      
  8      1.9633354E+04          5.63459865280E-04      
  9      8.4887347E+03          1.49467527503E-03      
 10      3.8231381E+03          3.73737377441E-03      
 11      1.7844755E+03          8.80534671111E-03      
 12      8.6005305E+02          1.90964546706E-02      
 13      4.2669867E+02          3.73120527159E-02      
 14      2.1726161E+02          6.09432927301E-02      
 15      1.1296987E+02          7.06848319041E-02      
 16      5.9449441E+01          1.19820337852E-02      
 17      3.0782256E+01         -1.72756727627E-01      
 18      1.6423212E+01         -4.04804342305E-01      
 19      8.7578890E+00         -2.72461500013E-01      
 20      4.4096290E+00          2.96370377427E-01      
 21      2.2494490E+00          6.35358957030E-01      
 22      1.1261150E+00          3.50272667546E-01      
S   22
  1      1.0861522E+08         -4.38920640816E-09      
  2      1.6264540E+07         -5.85836845743E-08      
  3      3.7001116E+06         -3.16117025546E-07      
  4      1.0471691E+06         -1.33414323331E-06      
  5      3.4106757E+05         -4.82904097169E-06      
  6      1.2277154E+05         -1.57050753582E-05      
  7      4.7659578E+04         -4.71300963556E-05      
  8      1.9633354E+04         -1.32206112180E-04      
  9      8.4887347E+03         -3.50630870866E-04      
 10      3.8231381E+03         -8.77290939295E-04      
 11      1.7844755E+03         -2.06710778071E-03      
 12      8.6005305E+02         -4.49001562700E-03      
 13      4.2669867E+02         -8.78475789686E-03      
 14      2.1726161E+02         -1.44170507159E-02      
 15      1.1296987E+02         -1.67997891045E-02      
 16      5.9449441E+01         -2.90908108968E-03      
 17      3.0782256E+01          4.27052275920E-02      
 18      1.6423212E+01          1.04632315581E-01      
 19      8.7578890E+00          7.22852309907E-02      
 20      4.4096290E+00         -9.38604940252E-02      
 21      2.2494490E+00         -2.28693498831E-01      
 22      1.1261150E+00         -2.47681411118E-01      
S   1
  1      5.1548600E-01          1.0000000        
S   1
  1      2.4257800E-01          1.0000000        
S   1
  1      1.0708600E-01          1.0000000        
S   1
  1      4.6988000E-02          1.0000000        
P   13
  1      3.2152190E+04          3.52451112444E-05      
  2      7.6093842E+03          2.87839263414E-04      
  3      2.4714744E+03          1.59754799455E-03      
  4      9.4606363E+02          6.94181776466E-03      
  5      4.0194711E+02          2.46904246678E-02      
  6      1.8364688E+02          7.24816874321E-02      
  7      8.8533264E+01          1.69321817037E-01      
  8      4.4270355E+01          2.96109268164E-01      
  9      2.2723083E+01          3.45832030077E-01      
 10      1.1823141E+01          2.13410636522E-01      
 11      6.0421350E+00          5.03033680785E-02      
 12      3.0317540E+00          2.97487153326E-03      
 13      1.4933660E+00          6.65122554586E-04      
P   13
  1      3.2152190E+04         -1.34257551850E-05      
  2      7.6093842E+03         -1.09593983625E-04      
  3      2.4714744E+03         -6.10562073109E-04      
  4      9.4606363E+02         -2.66321352919E-03      
  5      4.0194711E+02         -9.59356252753E-03      
  6      1.8364688E+02         -2.87663036312E-02      
  7      8.8533264E+01         -6.98268418309E-02      
  8      4.4270355E+01         -1.27719526797E-01      
  9      2.2723083E+01         -1.56843104911E-01      
 10      1.1823141E+01         -3.74707120258E-02      
 11      6.0421350E+00          2.49045750884E-01      
 12      3.0317540E+00          4.46494254766E-01      
 13      1.4933660E+00          3.48251721403E-01      
P   13
  1      3.2152190E+04          2.17857832796E-06      
  2      7.6093842E+03          1.79742724911E-05      
  3      2.4714744E+03          9.90672054565E-05      
  4      9.4606363E+02          4.37158452245E-04      
  5      4.0194711E+02          1.55888857858E-03      
  6      1.8364688E+02          4.74125999267E-03      
  7      8.8533264E+01          1.13963974502E-02      
  8      4.4270355E+01          2.13298588969E-02      
  9      2.2723083E+01          2.55577166136E-02      
 10      1.1823141E+01          5.72712236662E-03      
 11      6.0421350E+00         -5.10623403016E-02      
 12      3.0317540E+00         -8.42038270399E-02      
 13      1.4933660E+00         -8.93318671336E-02      
P   1
  1      7.0972700E-01          1.0000000        
P   1
  1      2.4859300E-01          1.0000000        
P   1
  1      9.4395000E-02          1.0000000        
P   1
  1      3.5887000E-02          1.0000000        
D   9
  1      1.0405046E+03          9.22897943073E-05      
  2      3.1459714E+02          8.75255545814E-04      
  3      1.2278760E+02          5.03219105155E-03      
  4      5.4760369E+01          1.98907150840E-02      
  5      2.6298944E+01          5.79236803378E-02      
  6      1.3263445E+01          1.30757285904E-01      
  7      6.8850650E+00          2.20471369005E-01      
  8      3.5795250E+00          2.81277207768E-01      
  9      1.8315640E+00          2.83043865966E-01      
D   1
  1      9.1290900E-01          1.0000000        
D   1
  1      4.3534000E-01          1.0000000        
D   1
  1      1.8851800E-01          1.0000000        
D   1
  1      7.5800000E-02          1.0000000        
F   1
  1      5.9600000E-01          1.0000000        
F   1
  1      2.8260000E-01          1.0000000        
F   1
  1      1.3400000E-01          1.0000000        
G   1
  1      6.1460000E-01          1.0000000        
G   1
  1      2.7500000E-01          1.0000000        
H   1
  1      4.9860000E-01          1.0000000        


name: cc-pV5Z(fi/sf/sc)
description: V5Z4P Relativistic Valence Quintuple Zeta + Polarization
elt: Ge
data:
GERMANIUM
S   22
  1      1.2200119E+08          1.32226326978E-07      
  2      1.8257470E+07          1.92874933415E-06      
  3      4.1508215E+06          1.05133097934E-05      
  4      1.1741018E+06          4.44267283376E-05      
  5      3.8230915E+05          1.60633901424E-04      
  6      1.3760796E+05          5.21925469816E-04      
  7      5.3419242E+04          1.56128535904E-03      
  8      2.2005756E+04          4.36444595024E-03      
  9      9.5138479E+03          1.14682366814E-02      
 10      4.2841756E+03          2.82611017628E-02      
 11      1.9991664E+03          6.43770564189E-02      
 12      9.6324716E+02          1.31504920435E-01      
 13      4.7780500E+02          2.27632710757E-01      
 14      2.4331589E+02          3.01489153078E-01      
 15      1.2663999E+02          2.55060046997E-01      
 16      6.6783579E+01          1.03439940847E-01      
 17      3.4416084E+01          1.19587950262E-02      
 18      1.8372814E+01          3.75266842894E-04      
 19      9.8054610E+00          7.09757140446E-05      
 20      4.9694030E+00         -4.80455392365E-05      
 21      2.5486230E+00         -2.97192658426E-05      
 22      1.2845940E+00         -2.01655251618E-06      
S   22
  1      1.2200119E+08         -4.20866341552E-08      
  2      1.8257470E+07         -6.13794458921E-07      
  3      4.1508215E+06         -3.34665732069E-06      
  4      1.1741018E+06         -1.41401195801E-05      
  5      3.8230915E+05         -5.11607543019E-05      
  6      1.3760796E+05         -1.66270650481E-04      
  7      5.3419242E+04         -4.98402835266E-04      
  8      2.2005756E+04         -1.39701341954E-03      
  9      9.5138479E+03         -3.69966803739E-03      
 10      4.2841756E+03         -9.24494298145E-03      
 11      1.9991664E+03         -2.17189840130E-02      
 12      9.6324716E+02         -4.69690175289E-02      
 13      4.7780500E+02         -9.09529035823E-02      
 14      2.4331589E+02         -1.46725887622E-01      
 15      1.2663999E+02         -1.68130985629E-01      
 16      6.6783579E+01         -4.50227650122E-02      
 17      3.4416084E+01          2.89106496749E-01      
 18      1.8372814E+01          5.23612787572E-01      
 19      9.8054610E+00          3.07016325779E-01      
 20      4.9694030E+00          4.85852371575E-02      
 21      2.5486230E+00          1.47093001428E-03      
 22      1.2845940E+00          1.19554774636E-03      
S   22
  1      1.2200119E+08          1.62774788950E-08      
  2      1.8257470E+07          2.37345186701E-07      
  3      4.1508215E+06          1.29438687876E-06      
  4      1.1741018E+06          5.46757575375E-06      
  5      3.8230915E+05          1.97899758914E-05      
  6      1.3760796E+05          6.42952489727E-05      
  7      5.3419242E+04          1.92861872581E-04      
  8      2.2005756E+04          5.40497397576E-04      
  9      9.5138479E+03          1.43365761848E-03      
 10      4.2841756E+03          3.58642031283E-03      
 11      1.9991664E+03          8.46560798969E-03      
 12      9.6324716E+02          1.84254880329E-02      
 13      4.7780500E+02          3.62543283324E-02      
 14      2.4331589E+02          6.00098458085E-02      
 15      1.2663999E+02          7.22281045149E-02      
 16      6.6783579E+01          1.97278750925E-02      
 17      3.4416084E+01         -1.59790092478E-01      
 18      1.8372814E+01         -4.01176868738E-01      
 19      9.8054610E+00         -2.99821092587E-01      
 20      4.9694030E+00          2.61615752683E-01      
 21      2.5486230E+00          6.43370503292E-01      
 22      1.2845940E+00          3.74799864573E-01      
S   22
  1      1.2200119E+08         -4.20644505229E-09      
  2      1.8257470E+07         -6.13306001763E-08      
  3      4.1508215E+06         -3.34498849063E-07      
  4      1.1741018E+06         -1.41280866821E-06      
  5      3.8230915E+05         -5.11434861851E-06      
  6      1.3760796E+05         -1.66135684443E-05      
  7      5.3419242E+04         -4.98449505777E-05      
  8      2.2005756E+04         -1.39669298098E-04      
  9      9.5138479E+03         -3.70607938683E-04      
 10      4.2841756E+03         -9.27083875760E-04      
 11      1.9991664E+03         -2.19023780576E-03      
 12      9.6324716E+02         -4.77013254266E-03      
 13      4.7780500E+02         -9.40954700556E-03      
 14      2.4331589E+02         -1.56243027867E-02      
 15      1.2663999E+02         -1.89486638433E-02      
 16      6.6783579E+01         -5.18418067563E-03      
 17      3.4416084E+01          4.33838446788E-02      
 18      1.8372814E+01          1.14665913345E-01      
 19      9.8054610E+00          8.77380600041E-02      
 20      4.9694030E+00         -9.09338518905E-02      
 21      2.5486230E+00         -2.58960096123E-01      
 22      1.2845940E+00         -2.89801943811E-01      
S   1
  1      5.8335300E-01          1.0000000        
S   1
  1      2.9343900E-01          1.0000000        
S   1
  1      1.3267200E-01          1.0000000        
S   1
  1      5.9239000E-02          1.0000000        
P   13
  1      3.2314970E+04          3.96553500694E-05      
  2      7.6482002E+03          3.22694763001E-04      
  3      2.4842114E+03          1.78534118029E-03      
  4      9.5100305E+02          7.72501546144E-03      
  5      4.0404833E+02          2.73112880876E-02      
  6      1.8460354E+02          7.93706682417E-02      
  7      8.8964128E+01          1.82135201275E-01      
  8      4.4447742E+01          3.09408748311E-01      
  9      2.2799075E+01          3.41844670160E-01      
 10      1.1835928E+01          1.92033728901E-01      
 11      6.0112940E+00          3.92805190095E-02      
 12      2.9957840E+00          1.97789144367E-03      
 13      1.4695700E+00          4.43783009696E-04      
P   13
  1      3.2314970E+04         -1.53359690495E-05      
  2      7.6482002E+03         -1.24772049411E-04      
  3      2.4842114E+03         -6.92908694077E-04      
  4      9.5100305E+02         -3.01142038705E-03      
  5      4.0404833E+02         -1.07899238077E-02      
  6      1.8460354E+02         -3.20861316154E-02      
  7      8.8964128E+01         -7.66117135712E-02      
  8      4.4447742E+01         -1.36502094205E-01      
  9      2.2799075E+01         -1.56624615670E-01      
 10      1.1835928E+01         -9.18817632626E-03      
 11      6.0112940E+00          2.91789594179E-01      
 12      2.9957840E+00          4.62070767800E-01      
 13      1.4695700E+00          3.11379577934E-01      
P   13
  1      3.2314970E+04          2.99353953288E-06      
  2      7.6482002E+03          2.44527365555E-05      
  3      2.4842114E+03          1.35283244163E-04      
  4      9.5100305E+02          5.90726631339E-04      
  5      4.0404833E+02          2.11049526860E-03      
  6      1.8460354E+02          6.32088239996E-03      
  7      8.8964128E+01          1.50783628534E-02      
  8      4.4447742E+01          2.72147839666E-02      
  9      2.2799075E+01          3.09808353369E-02      
 10      1.1835928E+01         -3.80588363537E-04      
 11      6.0112940E+00         -7.04066507026E-02      
 12      2.9957840E+00         -1.11134401376E-01      
 13      1.4695700E+00         -9.66750282933E-02      
P   1
  1      6.9068100E-01          1.0000000        
P   1
  1      2.8616000E-01          1.0000000        
P   1
  1      1.1774200E-01          1.0000000        
P   1
  1      4.7385000E-02          1.0000000        
D   9
  1      1.2267982E+03          7.93068320146E-05      
  2      3.7123223E+02          7.56029993587E-04      
  3      1.4489099E+02          4.40628294138E-03      
  4      6.4604130E+01          1.78884199195E-02      
  5      3.1039737E+01          5.35933100792E-02      
  6      1.5643870E+01          1.24869411792E-01      
  7      8.1258220E+00          2.17778815195E-01      
  8      4.2397620E+00          2.84786846499E-01      
  9      2.1863860E+00          2.89428817146E-01      
D   1
  1      1.1038710E+00          1.0000000        
D   1
  1      5.3381100E-01          1.0000000        
D   1
  1      2.3135500E-01          1.0000000        
D   1
  1      9.5300000E-02          1.0000000        
F   1
  1      6.7090000E-01          1.0000000        
F   1
  1      3.2970000E-01          1.0000000        
F   1
  1      1.6300000E-01          1.0000000        
G   1
  1      7.0340000E-01          1.0000000        
G   1
  1      3.1600000E-01          1.0000000        
H   1
  1      5.8150000E-01          1.0000000        


name: cc-pV5Z(fi/sf/sc)
description: V5Z4P Relativistic Valence Quintuple Zeta + Polarization
elt: As
data:
ARSENIC
S   22
  1      1.3750753E+08          1.13465136480E-07      
  2      2.0515052E+07          1.80307399333E-06      
  3      4.6487164E+06          9.96628129037E-06      
  4      1.3112646E+06          4.22522743460E-05      
  5      4.2618586E+05          1.52963582192E-04      
  6      1.5323706E+05          4.96990336810E-04      
  7      5.9459404E+04          1.48571607742E-03      
  8      2.4492812E+04          4.15004271979E-03      
  9      1.0590253E+04          1.09008259552E-02      
 10      4.7697841E+03          2.68728841506E-02      
 11      2.2263698E+03          6.13342605273E-02      
 12      1.0730862E+03          1.25926452275E-01      
 13      5.3250059E+02          2.20336136924E-01      
 14      2.7129755E+02          2.98112174435E-01      
 15      1.4131195E+02          2.62425060927E-01      
 16      7.4584433E+01          1.14303368569E-01      
 17      3.8298338E+01          1.48331355760E-02      
 18      2.0469130E+01          1.98046232317E-04      
 19      1.0939578E+01          2.03412417249E-04      
 20      5.5903670E+00         -1.11301533117E-04      
 21      2.8828590E+00          3.82634325732E-06      
 22      1.4660860E+00         -2.13056147461E-05      
S   22
  1      1.3750753E+08         -3.62876902055E-08      
  2      2.0515052E+07         -5.76521199325E-07      
  3      4.6487164E+06         -3.18765167256E-06      
  4      1.3112646E+06         -1.35117360780E-05      
  5      4.2618586E+05         -4.89503376705E-05      
  6      1.5323706E+05         -1.59072272487E-04      
  7      5.9459404E+04         -4.76519162523E-04      
  8      2.4492812E+04         -1.33440713644E-03      
  9      1.0590253E+04         -3.53191281039E-03      
 10      4.7697841E+03         -8.82291083709E-03      
 11      2.2263698E+03         -2.07448662123E-02      
 12      1.0730862E+03         -4.49741997374E-02      
 13      5.3250059E+02         -8.76350547051E-02      
 14      2.7129755E+02         -1.43207576543E-01      
 15      1.4131195E+02         -1.69792644511E-01      
 16      7.4584433E+01         -5.96744106784E-02      
 17      3.8298338E+01          2.66035521563E-01      
 18      2.0469130E+01          5.22248495683E-01      
 19      1.0939578E+01          3.27711308643E-01      
 20      5.5903670E+00          5.68936095644E-02      
 21      2.8828590E+00          1.80965677904E-03      
 22      1.4660860E+00          1.29210552686E-03      
S   22
  1      1.3750753E+08          1.41819253958E-08      
  2      2.0515052E+07          2.25273531485E-07      
  3      4.6487164E+06          1.24581063299E-06      
  4      1.3112646E+06          5.27951080610E-06      
  5      4.2618586E+05          1.91332733894E-05      
  6      1.5323706E+05          6.21585904511E-05      
  7      5.9459404E+04          1.86322898400E-04      
  8      2.4492812E+04          5.21701217026E-04      
  9      1.0590253E+04          1.38290882147E-03      
 10      4.7697841E+03          3.45842049668E-03      
 11      2.2263698E+03          8.16860560868E-03      
 12      1.0730862E+03          1.78208981327E-02      
 13      5.3250059E+02          3.52617314040E-02      
 14      2.7129755E+02          5.90797688479E-02      
 15      1.4131195E+02          7.34670877187E-02      
 16      7.4584433E+01          2.67099474365E-02      
 17      3.8298338E+01         -1.47414936998E-01      
 18      2.0469130E+01         -3.96330058611E-01      
 19      1.0939578E+01         -3.25262456366E-01      
 20      5.5903670E+00          2.25383873038E-01      
 21      2.8828590E+00          6.48010927251E-01      
 22      1.4660860E+00          3.99811514574E-01      
S   22
  1      1.3750753E+08         -3.93782879308E-09      
  2      2.0515052E+07         -6.25399903684E-08      
  3      4.6487164E+06         -3.45919088695E-07      
  4      1.3112646E+06         -1.46562039721E-06      
  5      4.2618586E+05         -5.31300412510E-06      
  6      1.5323706E+05         -1.72547841623E-05      
  7      5.9459404E+04         -5.17444054619E-05      
  8      2.4492812E+04         -1.44822685662E-04      
  9      1.0590253E+04         -3.84153426697E-04      
 10      4.7697841E+03         -9.60334684042E-04      
 11      2.2263698E+03         -2.27117676395E-03      
 12      1.0730862E+03         -4.95557754111E-03      
 13      5.3250059E+02         -9.83649240833E-03      
 14      2.7129755E+02         -1.65186467466E-02      
 15      1.4131195E+02         -2.07282339420E-02      
 16      7.4584433E+01         -7.51886042652E-03      
 17      3.8298338E+01          4.29267059744E-02      
 18      2.0469130E+01          1.21989786119E-01      
 19      1.0939578E+01          1.02614211988E-01      
 20      5.5903670E+00         -8.40580208324E-02      
 21      2.8828590E+00         -2.82784741438E-01      
 22      1.4660860E+00         -3.27789572538E-01      
S   1
  1      6.7483900E-01          1.0000000        
S   1
  1      3.4639900E-01          1.0000000        
S   1
  1      1.5928900E-01          1.0000000        
S   1
  1      7.2109000E-02          1.0000000        
P   13
  1      3.4166161E+04          4.08653873247E-05      
  2      8.0865608E+03          3.30888586812E-04      
  3      2.6265114E+03          1.82591070440E-03      
  4      1.0053950E+03          7.88807903976E-03      
  5      4.2712735E+02          2.78557375065E-02      
  6      1.9515113E+02          8.08172110525E-02      
  7      9.4054308E+01          1.84893922009E-01      
  8      4.6999880E+01          3.12306667247E-01      
  9      2.4117457E+01          3.40543716612E-01      
 10      1.2519982E+01          1.87070764325E-01      
 11      6.3573250E+00          3.70176658458E-02      
 12      3.1680520E+00          1.78460209489E-03      
 13      1.5534810E+00          3.25877441524E-04      
P   13
  1      3.4166161E+04         -1.60412692225E-05      
  2      8.0865608E+03         -1.29892127188E-04      
  3      2.6265114E+03         -7.19362959400E-04      
  4      1.0053950E+03         -3.12249381203E-03      
  5      4.2712735E+02         -1.11756155271E-02      
  6      1.9515113E+02         -3.32004271926E-02      
  7      9.4054308E+01         -7.90603952170E-02      
  8      4.6999880E+01         -1.40261357732E-01      
  9      2.4117457E+01         -1.57910053486E-01      
 10      1.2519982E+01         -1.28091804154E-03      
 11      6.3573250E+00          3.06006055085E-01      
 12      3.1680520E+00          4.70276624599E-01      
 13      1.5534810E+00          2.97187369323E-01      
P   13
  1      3.4166161E+04          3.54063173171E-06      
  2      8.0865608E+03          2.86732091896E-05      
  3      2.6265114E+03          1.58843943460E-04      
  4      1.0053950E+03          6.89946155322E-04      
  5      4.2712735E+02          2.47289958066E-03      
  6      1.9515113E+02          7.36776530253E-03      
  7      9.4054308E+01          1.76250986564E-02      
  8      4.6999880E+01          3.14754603507E-02      
  9      2.4117457E+01          3.55774727705E-02      
 10      1.2519982E+01         -3.32913535667E-03      
 11      6.3573250E+00         -8.29102507767E-02      
 12      3.1680520E+00         -1.33857285200E-01      
 13      1.5534810E+00         -1.00212196871E-01      
P   1
  1      7.1032500E-01          1.0000000        
P   1
  1      3.2095500E-01          1.0000000        
P   1
  1      1.3935700E-01          1.0000000        
P   1
  1      5.8410000E-02          1.0000000        
D   9
  1      1.4244506E+03          6.96781975903E-05      
  2      4.3106676E+02          6.67870977919E-04      
  3      1.6812864E+02          3.94110294942E-03      
  4      7.4866724E+01          1.63852858436E-02      
  5      3.5945855E+01          5.03488378847E-02      
  6      1.8098474E+01          1.20324976231E-01      
  7      9.4057800E+00          2.15464164901E-01      
  8      4.9239040E+00          2.87431700970E-01      
  9      2.5564930E+00          2.94489220889E-01      
D   1
  1      1.3042330E+00          1.0000000        
D   1
  1      6.3711800E-01          1.0000000        
D   1
  1      2.7579500E-01          1.0000000        
D   1
  1      1.1530000E-01          1.0000000        
F   1
  1      7.5990000E-01          1.0000000        
F   1
  1      3.8590000E-01          1.0000000        
F   1
  1      1.9600000E-01          1.0000000        
G   1
  1      8.0920000E-01          1.0000000        
G   1
  1      3.7000000E-01          1.0000000        
H   1
  1      6.7730000E-01          1.0000000        


name: cc-pV5Z(fi/sf/sc)
description: V5Z4P Relativistic Valence Quintuple Zeta + Polarization
elt: Se
data:
SELENIUM
S   22
  1      1.5443225E+08          9.35927592818E-08      
  2      2.3129212E+07          1.65807734963E-06      
  3      5.2617929E+06          9.24973321296E-06      
  4      1.4888167E+06          3.91256198813E-05      
  5      4.8465656E+05          1.41533234569E-04      
  6      1.7427063E+05          4.60162864980E-04      
  7      6.7529090E+04          1.37910250090E-03      
  8      2.7750837E+04          3.86567154984E-03      
  9      1.1964216E+04          1.01975026245E-02      
 10      5.3707148E+03          2.52862325982E-02      
 11      2.4973194E+03          5.81818994124E-02      
 12      1.1987679E+03          1.20734736300E-01      
 13      5.9258026E+02          2.14237855025E-01      
 14      3.0097708E+02          2.95829485372E-01      
 15      1.5646024E+02          2.69134900338E-01      
 16      8.2476086E+01          1.23846570947E-01      
 17      4.2270887E+01          1.75153273199E-02      
 18      2.2630220E+01          7.75733497495E-05      
 19      1.2122374E+01          3.13197796308E-04      
 20      6.2491700E+00         -1.65452379081E-04      
 21      3.2426780E+00          3.30099339972E-05      
 22      1.6663620E+00         -3.90147335121E-05      
S   22
  1      1.5443225E+08         -3.00711958357E-08      
  2      2.3129212E+07         -5.32602170589E-07      
  3      5.2617929E+06         -2.97214124655E-06      
  4      1.4888167E+06         -1.25694742191E-05      
  5      4.8465656E+05         -4.55014198679E-05      
  6      1.7427063E+05         -1.47957099973E-04      
  7      6.7529090E+04         -4.44321890036E-04      
  8      2.7750837E+04         -1.24835385250E-03      
  9      1.1964216E+04         -3.31726371366E-03      
 10      5.3707148E+03         -8.32921638380E-03      
 11      2.4973194E+03         -1.97174182199E-02      
 12      1.1987679E+03         -4.31026622570E-02      
 13      5.9258026E+02         -8.48240904691E-02      
 14      3.0097708E+02         -1.40524616513E-01      
 15      1.5646024E+02         -1.71268936654E-01      
 16      8.2476086E+01         -7.14049066779E-02      
 17      4.2270887E+01          2.46359417940E-01      
 18      2.2630220E+01          5.18856374782E-01      
 19      1.2122374E+01          3.45093325841E-01      
 20      6.2491700E+00          6.52689182145E-02      
 21      3.2426780E+00          2.25365455542E-03      
 22      1.6663620E+00          1.38221321739E-03      
S   22
  1      1.5443225E+08          1.18734881228E-08      
  2      2.3129212E+07          2.10257474026E-07      
  3      5.2617929E+06          1.17353682410E-06      
  4      1.4888167E+06          4.96199275303E-06      
  5      4.8465656E+05          1.79680593209E-05      
  6      1.7427063E+05          5.84118654223E-05      
  7      6.7529090E+04          1.75516357984E-04      
  8      2.7750837E+04          4.93087734585E-04      
  9      1.1964216E+04          1.31210696125E-03      
 10      5.3707148E+03          3.29823899078E-03      
 11      2.4973194E+03          7.84141295639E-03      
 12      1.1987679E+03          1.72476231137E-02      
 13      5.9258026E+02          3.44463156221E-02      
 14      3.0097708E+02          5.84782071303E-02      
 15      1.5646024E+02          7.46613123127E-02      
 16      8.2476086E+01          3.24214087780E-02      
 17      4.2270887E+01         -1.37173034051E-01      
 18      2.2630220E+01         -3.91472941510E-01      
 19      1.2122374E+01         -3.46229565911E-01      
 20      6.2491700E+00          1.91471516092E-01      
 21      3.2426780E+00          6.49052181454E-01      
 22      1.6663620E+00          4.22840676819E-01      
S   22
  1      1.5443225E+08         -3.48760264608E-09      
  2      2.3129212E+07         -6.17467327824E-08      
  3      5.2617929E+06         -3.44699200165E-07      
  4      1.4888167E+06         -1.45712848606E-06      
  5      4.8465656E+05         -5.27806373852E-06      
  6      1.7427063E+05         -1.71522897635E-05      
  7      6.7529090E+04         -5.15630103135E-05      
  8      2.7750837E+04         -1.44793987452E-04      
  9      1.1964216E+04         -3.85570523463E-04      
 10      5.3707148E+03         -9.68805439491E-04      
 11      2.4973194E+03         -2.30631781842E-03      
 12      1.1987679E+03         -5.07342432329E-03      
 13      5.9258026E+02         -1.01649178148E-02      
 14      3.0097708E+02         -1.72957960413E-02      
 15      1.5646024E+02         -2.22863507157E-02      
 16      8.2476086E+01         -9.67175915359E-03      
 17      4.2270887E+01          4.22548615213E-02      
 18      2.2630220E+01          1.27617166515E-01      
 19      1.2122374E+01          1.16108530062E-01      
 20      6.2491700E+00         -7.57776555521E-02      
 21      3.2426780E+00         -3.01119756538E-01      
 22      1.6663620E+00         -3.62601613448E-01      
S   1
  1      7.8726400E-01          1.0000000        
S   1
  1      4.0297200E-01          1.0000000        
S   1
  1      1.8709600E-01          1.0000000        
S   1
  1      8.4706000E-02          1.0000000        
P   13
  1      3.6511337E+04          4.12463600945E-05      
  2      8.6405510E+03          3.32280960511E-04      
  3      2.8056911E+03          1.82980774120E-03      
  4      1.0734961E+03          7.90290052876E-03      
  5      4.5577475E+02          2.79371232009E-02      
  6      2.0809432E+02          8.11644001127E-02      
  7      1.0023111E+02          1.85848348004E-01      
  8      5.0073522E+01          3.13595789617E-01      
  9      2.5700262E+01          3.40051841005E-01      
 10      1.3346792E+01          1.84973556464E-01      
 11      6.7870510E+00          3.61207798437E-02      
 12      3.3916540E+00          1.69625094445E-03      
 13      1.6703270E+00          2.33101218702E-04      
P   13
  1      3.6511337E+04         -1.64254231454E-05      
  2      8.6405510E+03         -1.32362196206E-04      
  3      2.8056911E+03         -7.31381415229E-04      
  4      1.0734961E+03         -3.17480268438E-03      
  5      4.5577475E+02         -1.13732792942E-02      
  6      2.0809432E+02         -3.38512040996E-02      
  7      1.0023111E+02         -8.06900041782E-02      
  8      5.0073522E+01         -1.43181650011E-01      
  9      2.5700262E+01         -1.59630849691E-01      
 10      1.3346792E+01          2.69396304073E-03      
 11      6.7870510E+00          3.14745527404E-01      
 12      3.3916540E+00          4.75820146202E-01      
 13      1.6703270E+00          2.86403603851E-01      
P   13
  1      3.6511337E+04          3.96539821207E-06      
  2      8.6405510E+03          3.18979966129E-05      
  3      2.8056911E+03          1.76664080552E-04      
  4      1.0734961E+03          7.65865520218E-04      
  5      4.5577475E+02          2.75349321279E-03      
  6      2.0809432E+02          8.20265736890E-03      
  7      1.0023111E+02          1.96979851899E-02      
  8      5.0073522E+01          3.50812207264E-02      
  9      2.5700262E+01          3.95051557410E-02      
 10      1.3346792E+01         -5.41883899360E-03      
 11      6.7870510E+00         -9.33858906344E-02      
 12      3.3916540E+00         -1.53362583417E-01      
 13      1.6703270E+00         -1.01030733559E-01      
P   1
  1      7.5259900E-01          1.0000000        
P   1
  1      3.4681300E-01          1.0000000        
P   1
  1      1.5185500E-01          1.0000000        
P   1
  1      6.3856000E-02          1.0000000        
D   9
  1      1.6350663E+03          6.21663881709E-05      
  2      4.9467266E+02          5.98715170313E-04      
  3      1.9284388E+02          3.56730463142E-03      
  4      8.5782195E+01          1.51297269603E-02      
  5      4.1149966E+01          4.76149410318E-02      
  6      2.0678170E+01          1.16700762524E-01      
  7      1.0726386E+01          2.14540416551E-01      
  8      5.6124540E+00          2.91520565279E-01      
  9      2.9203760E+00          2.99737286868E-01      
D   1
  1      1.4981840E+00          1.0000000        
D   1
  1      7.3599900E-01          1.0000000        
D   1
  1      3.1600400E-01          1.0000000        
D   1
  1      1.3310000E-01          1.0000000        
F   1
  1      8.4420000E-01          1.0000000        
F   1
  1      4.2110000E-01          1.0000000        
F   1
  1      2.1000000E-01          1.0000000        
G   1
  1      8.6590000E-01          1.0000000        
G   1
  1      3.8500000E-01          1.0000000        
H   1
  1      7.2350000E-01          1.0000000        


name: cc-pV5Z(fi/sf/sc)
description: V5Z4P Relativistic Valence Quintuple Zeta + Polarization
elt: Br
data:
BROMINE
S   22
  1      1.6573515E+08          8.79166977131E-08      
  2      2.4774379E+07          1.64371595722E-06      
  3      5.6282020E+06          9.23653205269E-06      
  4      1.5918997E+06          3.90571538043E-05      
  5      5.1826380E+05          1.41092950363E-04      
  6      1.8649092E+05          4.57682360220E-04      
  7      7.2332493E+04          1.36854192864E-03      
  8      2.9761135E+04          3.82508690938E-03      
  9      1.2851712E+04          1.00575104977E-02      
 10      5.7809430E+03          2.48484287367E-02      
 11      2.6950098E+03          5.69672804345E-02      
 12      1.2976604E+03          1.17930378891E-01      
 13      6.4363493E+02          2.09545229752E-01      
 14      3.2795194E+02          2.92120793532E-01      
 15      1.7092262E+02          2.72110173557E-01      
 16      9.0250141E+01          1.30954180101E-01      
 17      4.6292467E+01          1.99335524991E-02      
 18      2.4848661E+01         -1.94924148079E-05      
 19      1.3347137E+01          4.17684538373E-04      
 20      6.9482580E+00         -2.20168511049E-04      
 21      3.6250750E+00          6.32092795516E-05      
 22      1.8821530E+00         -5.79342559247E-05      
S   22
  1      1.6573515E+08         -2.83747186284E-08      
  2      2.4774379E+07         -5.30362702459E-07      
  3      5.6282020E+06         -2.98124707392E-06      
  4      1.5918997E+06         -1.26039777141E-05      
  5      5.1826380E+05         -4.55643125281E-05      
  6      1.8649092E+05         -1.47823498589E-04      
  7      7.2332493E+04         -4.42910512331E-04      
  8      2.9761135E+04         -1.24080184160E-03      
  9      1.2851712E+04         -3.28626795055E-03      
 10      5.7809430E+03         -8.21975889297E-03      
 11      2.6950098E+03         -1.93789261586E-02      
 12      1.2976604E+03         -4.22108913642E-02      
 13      6.4363493E+02         -8.29695522363E-02      
 14      3.2795194E+02         -1.38042927653E-01      
 15      1.7092262E+02         -1.71246203053E-01      
 16      9.0250141E+01         -7.96810764034E-02      
 17      4.6292467E+01          2.29690943734E-01      
 18      2.4848661E+01          5.14215937042E-01      
 19      1.3347137E+01          3.59445591435E-01      
 20      6.9482580E+00          7.33381125568E-02      
 21      3.6250750E+00          2.97738059665E-03      
 22      1.8821530E+00          1.37434071791E-03      
S   22
  1      1.6573515E+08          1.13152137887E-08      
  2      2.4774379E+07          2.11462949298E-07      
  3      5.6282020E+06          1.18885102529E-06      
  4      1.5918997E+06          5.02531216069E-06      
  5      5.1826380E+05          1.81719130433E-05      
  6      1.8649092E+05          5.89426539669E-05      
  7      7.2332493E+04          1.76698755283E-04      
  8      2.9761135E+04          4.95011328276E-04      
  9      1.2851712E+04          1.31276654562E-03      
 10      5.7809430E+03          3.28748919311E-03      
 11      2.6950098E+03          7.78305835928E-03      
 12      1.2976604E+03          1.70582535753E-02      
 13      6.4363493E+02          3.40153032283E-02      
 14      3.2795194E+02          5.79747606625E-02      
 15      1.7092262E+02          7.52606780061E-02      
 16      9.0250141E+01          3.65982959094E-02      
 17      4.6292467E+01         -1.28757743600E-01      
 18      2.4848661E+01         -3.86802512434E-01      
 19      1.3347137E+01         -3.63660203812E-01      
 20      6.9482580E+00          1.60512721909E-01      
 21      3.6250750E+00          6.47921188535E-01      
 22      1.8821530E+00          4.43691388659E-01      
S   22
  1      1.6573515E+08         -3.47869428136E-09      
  2      2.4774379E+07         -6.49972497006E-08      
  3      5.6282020E+06         -3.65487495535E-07      
  4      1.5918997E+06         -1.54455104067E-06      
  5      5.1826380E+05         -5.58698106690E-06      
  6      1.8649092E+05         -1.81153592949E-05      
  7      7.2332493E+04         -5.43325295554E-05      
  8      2.9761135E+04         -1.52137669138E-04      
  9      1.2851712E+04         -4.03769297977E-04      
 10      5.7809430E+03         -1.01068304035E-03      
 11      2.6950098E+03         -2.39606758807E-03      
 12      1.2976604E+03         -5.25181489346E-03      
 13      6.4363493E+02         -1.05071983730E-02      
 14      3.2795194E+02         -1.79475328897E-02      
 15      1.7092262E+02         -2.35195786916E-02      
 16      9.0250141E+01         -1.14380040347E-02      
 17      4.6292467E+01          4.15199901314E-02      
 18      2.4848661E+01          1.32146363346E-01      
 19      1.3347137E+01          1.28158200841E-01      
 20      6.9482580E+00         -6.66553059071E-02      
 21      3.6250750E+00         -3.16072290358E-01      
 22      1.8821530E+00         -3.93789125707E-01      
S   1
  1      9.1082200E-01          1.0000000        
S   1
  1      4.6395700E-01          1.0000000        
S   1
  1      2.1693300E-01          1.0000000        
S   1
  1      9.8406000E-02          1.0000000        
P   13
  1      3.9391530E+04          4.08553668344E-05      
  2      9.3252225E+03          3.27011754394E-04      
  3      3.0289943E+03          1.79459975877E-03      
  4      1.1595145E+03          7.73600405309E-03      
  5      4.9268131E+02          2.73298083256E-02      
  6      2.2517451E+02          7.94850374697E-02      
  7      1.0859326E+02          1.82701372603E-01      
  8      5.4336079E+01          3.10497015948E-01      
  9      2.7936650E+01          3.40916219195E-01      
 10      1.4539626E+01          1.89565499895E-01      
 11      7.4213070E+00          3.83827930276E-02      
 12      3.7303890E+00          1.78887008408E-03      
 13      1.8541270E+00          2.16378111777E-04      
P   13
  1      3.9391530E+04         -1.64956324125E-05      
  2      9.3252225E+03         -1.32089384868E-04      
  3      3.0289943E+03         -7.27280714909E-04      
  4      1.1595145E+03         -3.15126732891E-03      
  5      4.9268131E+02         -1.12796059142E-02      
  6      2.2517451E+02         -3.36068862688E-02      
  7      1.0859326E+02         -8.04017956632E-02      
  8      5.4336079E+01         -1.43739855508E-01      
  9      2.7936650E+01         -1.62488833930E-01      
 10      1.4539626E+01         -3.11844095576E-03      
 11      7.4213070E+00          3.11182355982E-01      
 12      3.7303890E+00          4.79464403190E-01      
 13      1.8541270E+00          2.87403576351E-01      
P   13
  1      3.9391530E+04          4.26675412195E-06      
  2      9.3252225E+03          3.40866211091E-05      
  3      3.0289943E+03          1.88231603794E-04      
  4      1.1595145E+03          8.14049882118E-04      
  5      4.9268131E+02          2.92636778545E-03      
  6      2.2517451E+02          8.72172444478E-03      
  7      1.0859326E+02          2.10428790894E-02      
  8      5.4336079E+01          3.77310545068E-02      
  9      2.7936650E+01          4.31865464117E-02      
 10      1.4539626E+01         -4.49146939670E-03      
 11      7.4213070E+00         -9.96239641866E-02      
 12      3.7303890E+00         -1.68927763379E-01      
 13      1.8541270E+00         -1.06649030518E-01      
P   1
  1      8.4533700E-01          1.0000000        
P   1
  1      3.9215200E-01          1.0000000        
P   1
  1      1.7276700E-01          1.0000000        
P   1
  1      7.2908000E-02          1.0000000        
D   9
  1      1.8506354E+03          5.69072254850E-05      
  2      5.5707125E+02          5.55694584184E-04      
  3      2.1648687E+02          3.34767331766E-03      
  4      9.6138850E+01          1.43924992025E-02      
  5      4.6126380E+01          4.59259180002E-02      
  6      2.3201164E+01          1.14097663462E-01      
  7      1.2055926E+01          2.13169088437E-01      
  8      6.3255450E+00          2.93851545228E-01      
  9      3.3049220E+00          3.03675883490E-01      
D   1
  1      1.7042530E+00          1.0000000        
D   1
  1      8.3994000E-01          1.0000000        
D   1
  1      3.5695300E-01          1.0000000        
D   1
  1      1.5200000E-01          1.0000000        
F   1
  1      9.6270000E-01          1.0000000        
F   1
  1      4.9550000E-01          1.0000000        
F   1
  1      2.5500000E-01          1.0000000        
G   1
  1      9.7680000E-01          1.0000000        
G   1
  1      4.3900000E-01          1.0000000        
H   1
  1      8.1930000E-01          1.0000000        


name: cc-pV5Z(fi/sf/sc)
description: V5Z4P Relativistic Valence Quintuple Zeta + Polarization
elt: Kr
data:
KRYPTON
S   22
  1      1.8282209E+08          7.32129433614E-08      
  2      2.7356156E+07          1.54461916193E-06      
  3      6.2211704E+06          8.81729306383E-06      
  4      1.7602779E+06          3.72980512010E-05      
  5      5.7319382E+05          1.34729590984E-04      
  6      2.0625845E+05          4.36629325082E-04      
  7      8.0026669E+04          1.30361032557E-03      
  8      3.2939084E+04          3.64071079803E-03      
  9      1.4222633E+04          9.57789815549E-03      
 10      6.3930707E+03          2.37129022133E-02      
 11      2.9764538E+03          5.45891178528E-02      
 12      1.4305254E+03          1.13797851693E-01      
 13      7.0792621E+02          2.04419125720E-01      
 14      3.5984847E+02          2.89736576569E-01      
 15      1.8714965E+02          2.77001746851E-01      
 16      9.8634523E+01          1.38849193919E-01      
 17      5.0547869E+01          2.24771606739E-02      
 18      2.7167004E+01         -8.51940828539E-05      
 19      1.4615098E+01          5.08802406285E-04      
 20      7.6513520E+00         -2.67597231249E-04      
 21      3.9972630E+00          8.86277953163E-05      
 22      2.0858530E+00         -7.36720840604E-05      
S   22
  1      1.8282209E+08         -2.37335870332E-08      
  2      2.7356156E+07         -5.00574442195E-07      
  3      6.2211704E+06         -2.85843035388E-06      
  4      1.7602779E+06         -1.20891436602E-05      
  5      5.7319382E+05         -4.37003669201E-05      
  6      2.0625845E+05         -1.41640408594E-04      
  7      8.0026669E+04         -4.23726917900E-04      
  8      3.2939084E+04         -1.18598709860E-03      
  9      1.4222633E+04         -3.14206520175E-03      
 10      6.3930707E+03         -7.87146353979E-03      
 11      2.9764538E+03         -1.86159222643E-02      
 12      1.4305254E+03         -4.07571915256E-02      
 13      7.0792621E+02         -8.07209987010E-02      
 14      3.5984847E+02         -1.35824836000E-01      
 15      1.8714965E+02         -1.72036082499E-01      
 16      9.8634523E+01         -8.81519643167E-02      
 17      5.0547869E+01          2.14322623384E-01      
 18      2.7167004E+01          5.09853378157E-01      
 19      1.4615098E+01          3.72440068907E-01      
 20      7.6513520E+00          8.08748478876E-02      
 21      3.9972630E+00          3.54240569227E-03      
 22      2.0858530E+00          1.38734473216E-03      
S   22
  1      1.8282209E+08          9.55486651401E-09      
  2      2.7356156E+07          2.01497481822E-07      
  3      6.2211704E+06          1.15075680466E-06      
  4      1.7602779E+06          4.86625656727E-06      
  5      5.7319382E+05          1.75947428443E-05      
  6      2.0625845E+05          5.70193023697E-05      
  7      8.0026669E+04          1.70654816670E-04      
  8      3.2939084E+04          4.77684306114E-04      
  9      1.4222633E+04          1.26705079562E-03      
 10      6.3930707E+03          3.17822517968E-03      
 11      2.9764538E+03          7.54613515831E-03      
 12      1.4305254E+03          1.66237045514E-02      
 13      7.0792621E+02          3.33821496368E-02      
 14      3.5984847E+02          5.75246171670E-02      
 15      1.8714965E+02          7.61593901606E-02      
 16      9.8634523E+01          4.09211122930E-02      
 17      5.0547869E+01         -1.21010204978E-01      
 18      2.7167004E+01         -3.82792576418E-01      
 19      1.4615098E+01         -3.79306980805E-01      
 20      7.6513520E+00          1.36728020620E-01      
 21      3.9972630E+00          6.52070873591E-01      
 22      2.0858530E+00          4.56997198462E-01      
S   22
  1      1.8282209E+08         -3.05124978766E-09      
  2      2.7356156E+07         -6.43258063523E-08      
  3      6.2211704E+06         -3.67463137031E-07      
  4      1.7602779E+06         -1.55339539834E-06      
  5      5.7319382E+05         -5.61893815095E-06      
  6      2.0625845E+05         -1.82002148610E-05      
  7      8.0026669E+04         -5.45068884830E-05      
  8      3.2939084E+04         -1.52471290334E-04      
  9      1.4222633E+04         -4.04816832443E-04      
 10      6.3930707E+03         -1.01472176011E-03      
 11      2.9764538E+03         -2.41327677534E-03      
 12      1.4305254E+03         -5.31486760455E-03      
 13      7.0792621E+02         -1.07125641494E-02      
 14      3.5984847E+02         -1.84909663878E-02      
 15      1.8714965E+02         -2.47351517514E-02      
 16      9.8634523E+01         -1.32700533872E-02      
 17      5.0547869E+01          4.04786283387E-02      
 18      2.7167004E+01          1.36113022380E-01      
 19      1.4615098E+01          1.39075394384E-01      
 20      7.6513520E+00         -5.85475183346E-02      
 21      3.9972630E+00         -3.34435021851E-01      
 22      2.0858530E+00         -4.20220147508E-01      
S   1
  1      1.0147970E+00          1.0000000        
S   1
  1      5.1978800E-01          1.0000000        
S   1
  1      2.4510300E-01          1.0000000        
S   1
  1      1.1189600E-01          1.0000000        
P   13
  1      4.2993056E+04          3.96225850020E-05      
  2      1.0173723E+04          3.15348993133E-04      
  3      3.3031057E+03          1.72738660328E-03      
  4      1.2635400E+03          7.45506262377E-03      
  5      5.3636546E+02          2.64333762746E-02      
  6      2.4487617E+02          7.73211961311E-02      
  7      1.1799117E+02          1.79157406838E-01      
  8      5.9021248E+01          3.07519226502E-01      
  9      3.0356067E+01          3.42360830942E-01      
 10      1.5819977E+01          1.94570666674E-01      
 11      8.1045800E+00          4.08240321727E-02      
 12      4.0979640E+00          1.91427647388E-03      
 13      2.0560610E+00          1.95415348229E-04      
P   13
  1      4.2993056E+04         -1.62148977358E-05      
  2      1.0173723E+04         -1.29123159508E-04      
  3      3.3031057E+03         -7.09522466047E-04      
  4      1.2635400E+03         -3.07811900179E-03      
  5      5.3636546E+02         -1.10545682056E-02      
  6      2.4487617E+02         -3.31217406714E-02      
  7      1.1799117E+02         -7.98601036659E-02      
  8      5.9021248E+01         -1.44254026371E-01      
  9      3.0356067E+01         -1.65643202296E-01      
 10      1.5819977E+01         -9.48636594859E-03      
 11      8.1045800E+00          3.06955319514E-01      
 12      4.0979640E+00          4.82743037342E-01      
 13      2.0560610E+00          2.89365865188E-01      
P   13
  1      4.2993056E+04          4.40609224147E-06      
  2      1.0173723E+04          3.49951178322E-05      
  3      3.3031057E+03          1.92924554177E-04      
  4      1.2635400E+03          8.35128575553E-04      
  5      5.3636546E+02          3.01331134768E-03      
  6      2.4487617E+02          9.02943915801E-03      
  7      1.1799117E+02          2.19689272775E-02      
  8      5.9021248E+01          3.97964520597E-02      
  9      3.0356067E+01          4.63379286236E-02      
 10      1.5819977E+01         -3.09932782647E-03      
 11      8.1045800E+00         -1.04157795826E-01      
 12      4.0979640E+00         -1.81937718789E-01      
 13      2.0560610E+00         -1.11506387882E-01      
P   1
  1      9.5214500E-01          1.0000000        
P   1
  1      4.4477400E-01          1.0000000        
P   1
  1      1.9749600E-01          1.0000000        
P   1
  1      8.3823000E-02          1.0000000        
D   9
  1      2.0674360E+03          5.27681179382E-05      
  2      6.2569371E+02          5.10366222276E-04      
  3      2.4394679E+02          3.07670113567E-03      
  4      1.0842373E+02          1.34041018840E-02      
  5      5.2005216E+01          4.36415370296E-02      
  6      2.6115405E+01          1.10803439306E-01      
  7      1.3546748E+01          2.11675999335E-01      
  8      7.1058100E+00          2.96399940389E-01      
  9      3.7215540E+00          3.07475131821E-01      
D   1
  1      1.9291200E+00          1.0000000        
D   1
  1      9.5582600E-01          1.0000000        
D   1
  1      4.0519700E-01          1.0000000        
D   1
  1      1.7410000E-01          1.0000000        
F   1
  1      1.0940000E+00          1.0000000        
F   1
  1      5.8700000E-01          1.0000000        
F   1
  1      3.1500000E-01          1.0000000        
G   1
  1      1.1040000E+00          1.0000000        
G   1
  1      5.0100000E-01          1.0000000        
H   1
  1      9.3030000E-01          1.0000000        


name: cc-pV5Z
description: V5Z4P Valence Quintuple Zeta + Polarization on All Atoms
elt: H
data:
HYDROGEN
S   4
  1    402.0000000              0.0002790        
  2     60.2400000              0.0021650        
  3     13.7300000              0.0112010        
  4      3.9050000              0.0448780        
S   1
  1      1.2830000              1.0000000        
S   1
  1      0.4655000              1.0000000        
S   1
  1      0.1811000              1.0000000        
S   1
  1      0.0727900              1.0000000        
P   1
  1      4.5160000              1.0000000        
P   1
  1      1.7120000              1.0000000        
P   1
  1      0.6490000              1.0000000        
P   1
  1      0.2460000              1.0000000        
D   1
  1      2.9500000              1.0000000        
D   1
  1      1.2060000              1.0000000        
D   1
  1      0.4930000              1.0000000        
F   1
  1      2.5060000              1.0000000        
F   1
  1      0.8750000              1.0000000        
G   1
  1      2.3580000              1.0000000        


name: cc-pV5Z
description: V5Z4P Valence Quintuple Zeta + Polarization on All Atoms
elt: He
data:
HELIUM
S   4
  1   1145.0000000              0.0003590        
  2    171.7000000              0.0027710        
  3     39.0700000              0.0142510        
  4     11.0400000              0.0555660        
S   1
  1      3.5660000              1.0000000        
S   1
  1      1.2400000              1.0000000        
S   1
  1      0.4473000              1.0000000        
S   1
  1      0.1640000              1.0000000        
P   1
  1     10.1530000              1.0000000        
P   1
  1      3.6270000              1.0000000        
P   1
  1      1.2960000              1.0000000        
P   1
  1      0.4630000              1.0000000        
D   1
  1      7.6660000              1.0000000        
D   1
  1      2.6470000              1.0000000        
D   1
  1      0.9140000              1.0000000        
F   1
  1      5.4110000              1.0000000        
F   1
  1      1.7070000              1.0000000        
G   1
  1      3.4300000              1.0000000        


name: cc-pV5Z
description: V5Z4P Valence Quintuple Zeta + Polarization on All Atoms
elt: Li
data:
LITHIUM
S   10
  1  29493.0000000              0.0000180        
  2   4417.1010000              0.0001410        
  3   1005.2230000              0.0007390        
  4    284.7009000              0.0031070        
  5     92.8654300              0.0111350        
  6     33.5117900              0.0346700        
  7     13.0418000              0.0921710        
  8      5.3575360              0.1995760        
  9      2.2793380              0.3288360        
 10      0.9939900              0.3459750        
S   10
  1  29493.0000000             -0.0000030        
  2   4417.1010000             -0.0000220        
  3   1005.2230000             -0.0001150        
  4    284.7009000             -0.0004870        
  5     92.8654300             -0.0017460        
  6     33.5117900             -0.0055200        
  7     13.0418000             -0.0149280        
  8      5.3575360             -0.0342060        
  9      2.2793380             -0.0621550        
 10      0.9939900             -0.0959020        
S   1
  1      0.4334710              1.0000000        
S   1
  1      0.0955660              1.0000000        
S   1
  1      0.0446570              1.0000000        
S   1
  1      0.0206330              1.0000000        
P   3
  1     11.2500000              0.0013120        
  2      2.5000000              0.0099180        
  3      0.6500000              0.0375420        
P   1
  1      0.2500000              1.0000000        
P   1
  1      0.1000000              1.0000000        
P   1
  1      0.0390000              1.0000000        
P   1
  1      0.0170000              1.0000000        
D   1
  1      0.5500000              1.0000000        
D   1
  1      0.2900000              1.0000000        
D   1
  1      0.1400000              1.0000000        
D   1
  1      0.0610000              1.0000000        
F   1
  1      0.3500000              1.0000000        
F   1
  1      0.2200000              1.0000000        
F   1
  1      0.1100000              1.0000000        
G   1
  1      0.3200000              1.0000000        
G   1
  1      0.1600000              1.0000000        
H   1
  1      0.3200000              1.0000000        


name: cc-pV5Z
description: V5Z4P Valence Quintuple Zeta + Polarization on All Atoms
elt: Be
data:
BERYLLIUM
S   10
  1  54620.0000000              0.0000180        
  2   8180.0000000              0.0001380        
  3   1862.0000000              0.0007230        
  4    527.3000000              0.0030390        
  5    172.0000000              0.0109080        
  6     62.1000000              0.0340350        
  7     24.2100000              0.0911930        
  8      9.9930000              0.1992680        
  9      4.3050000              0.3293550        
 10      1.9210000              0.3404890        
S   10
  1  54620.0000000             -0.0000030        
  2   8180.0000000             -0.0000250        
  3   1862.0000000             -0.0001310        
  4    527.3000000             -0.0005580        
  5    172.0000000             -0.0019880        
  6     62.1000000             -0.0063700        
  7     24.2100000             -0.0172170        
  8      9.9930000             -0.0408580        
  9      4.3050000             -0.0742370        
 10      1.9210000             -0.1192340        
S   1
  1      0.8663000              1.0000000        
S   1
  1      0.2475000              1.0000000        
S   1
  1      0.1009000              1.0000000        
S   1
  1      0.0412900              1.0000000        
P   4
  1     43.7500000              0.0006330        
  2     10.3300000              0.0048080        
  3      3.2260000              0.0205270        
  4      1.1270000              0.0678160        
P   1
  1      0.4334000              1.0000000        
P   1
  1      0.1808000              1.0000000        
P   1
  1      0.0782700              1.0000000        
P   1
  1      0.0337200              1.0000000        
D   1
  1      1.6350000              1.0000000        
D   1
  1      0.7410000              1.0000000        
D   1
  1      0.3350000              1.0000000        
D   1
  1      0.1519000              1.0000000        
F   1
  1      0.6860000              1.0000000        
F   1
  1      0.4010000              1.0000000        
F   1
  1      0.2350000              1.0000000        
G   1
  1      0.6030000              1.0000000        
G   1
  1      0.3240000              1.0000000        
H   1
  1      0.5100000              1.0000000        


name: cc-pV5Z
description: V5Z4P Valence Quintuple Zeta + Polarization on All Atoms
elt: B
data:
BORON
S   10
  1  68260.0000000              0.0000240        
  2  10230.0000000              0.0001850        
  3   2328.0000000              0.0009700        
  4    660.4000000              0.0040560        
  5    216.2000000              0.0143990        
  6     78.6000000              0.0439010        
  7     30.9800000              0.1130570        
  8     12.9600000              0.2338250        
  9      5.6590000              0.3539600        
 10      2.5560000              0.3015470        
S   10
  1  68260.0000000             -0.0000050        
  2  10230.0000000             -0.0000370        
  3   2328.0000000             -0.0001960        
  4    660.4000000             -0.0008240        
  5    216.2000000             -0.0029230        
  6     78.6000000             -0.0091380        
  7     30.9800000             -0.0241050        
  8     12.9600000             -0.0547550        
  9      5.6590000             -0.0969430        
 10      2.5560000             -0.1374850        
S   1
  1      1.1750000              1.0000000        
S   1
  1      0.4249000              1.0000000        
S   1
  1      0.1712000              1.0000000        
S   1
  1      0.0691300              1.0000000        
P   4
  1     66.4400000              0.0008380        
  2     15.7100000              0.0064090        
  3      4.9360000              0.0280810        
  4      1.7700000              0.0921520        
P   1
  1      0.7008000              1.0000000        
P   1
  1      0.2901000              1.0000000        
P   1
  1      0.1211000              1.0000000        
P   1
  1      0.0497300              1.0000000        
D   1
  1      2.0100000              1.0000000        
D   1
  1      0.7960000              1.0000000        
D   1
  1      0.3160000              1.0000000        
D   1
  1      0.1250000              1.0000000        
F   1
  1      1.2150000              1.0000000        
F   1
  1      0.5250000              1.0000000        
F   1
  1      0.2270000              1.0000000        
G   1
  1      1.1240000              1.0000000        
G   1
  1      0.4610000              1.0000000        
H   1
  1      0.8340000              1.0000000        


name: cc-pV5Z
description: V5Z4P Valence Quintuple Zeta + Polarization on All Atoms
elt: C
data:
CARBON
S   10
  1  96770.0000000              0.0000250        
  2  14500.0000000              0.0001900        
  3   3300.0000000              0.0010000        
  4    935.8000000              0.0041830        
  5    306.2000000              0.0148590        
  6    111.3000000              0.0453010        
  7     43.9000000              0.1165040        
  8     18.4000000              0.2402490        
  9      8.0540000              0.3587990        
 10      3.6370000              0.2939410        
S   10
  1  96770.0000000             -0.0000050        
  2  14500.0000000             -0.0000410        
  3   3300.0000000             -0.0002130        
  4    935.8000000             -0.0008970        
  5    306.2000000             -0.0031870        
  6    111.3000000             -0.0099610        
  7     43.9000000             -0.0263750        
  8     18.4000000             -0.0600010        
  9      8.0540000             -0.1068250        
 10      3.6370000             -0.1441660        
S   1
  1      1.6560000              1.0000000        
S   1
  1      0.6333000              1.0000000        
S   1
  1      0.2545000              1.0000000        
S   1
  1      0.1019000              1.0000000        
P   4
  1    101.8000000              0.0008910        
  2     24.0400000              0.0069760        
  3      7.5710000              0.0316690        
  4      2.7320000              0.1040060        
P   1
  1      1.0850000              1.0000000        
P   1
  1      0.4496000              1.0000000        
P   1
  1      0.1876000              1.0000000        
P   1
  1      0.0760600              1.0000000        
D   1
  1      3.1340000              1.0000000        
D   1
  1      1.2330000              1.0000000        
D   1
  1      0.4850000              1.0000000        
D   1
  1      0.1910000              1.0000000        
F   1
  1      2.0060000              1.0000000        
F   1
  1      0.8380000              1.0000000        
F   1
  1      0.3500000              1.0000000        
G   1
  1      1.7530000              1.0000000        
G   1
  1      0.6780000              1.0000000        
H   1
  1      1.2590000              1.0000000        


name: cc-pV5Z
description: V5Z4P Valence Quintuple Zeta + Polarization on All Atoms
elt: N
data:
NITROGEN
S   10
  1 129200.0000000              0.0000250        
  2  19350.0000000              0.0001970        
  3   4404.0000000              0.0010320        
  4   1248.0000000              0.0043250        
  5    408.0000000              0.0153800        
  6    148.2000000              0.0468670        
  7     58.5000000              0.1201160        
  8     24.5900000              0.2456950        
  9     10.8100000              0.3613790        
 10      4.8820000              0.2872830        
S   10
  1 129200.0000000             -0.0000060        
  2  19350.0000000             -0.0000430        
  3   4404.0000000             -0.0002270        
  4   1248.0000000             -0.0009580        
  5    408.0000000             -0.0034160        
  6    148.2000000             -0.0106670        
  7     58.5000000             -0.0282790        
  8     24.5900000             -0.0640200        
  9     10.8100000             -0.1139320        
 10      4.8820000             -0.1469950        
S   1
  1      2.1950000              1.0000000        
S   1
  1      0.8715000              1.0000000        
S   1
  1      0.3504000              1.0000000        
S   1
  1      0.1397000              1.0000000        
P   4
  1    147.0000000              0.0008920        
  2     34.7600000              0.0070820        
  3     11.0000000              0.0328160        
  4      3.9950000              0.1082090        
P   1
  1      1.5870000              1.0000000        
P   1
  1      0.6533000              1.0000000        
P   1
  1      0.2686000              1.0000000        
P   1
  1      0.1067000              1.0000000        
D   1
  1      4.6470000              1.0000000        
D   1
  1      1.8130000              1.0000000        
D   1
  1      0.7070000              1.0000000        
D   1
  1      0.2760000              1.0000000        
F   1
  1      2.9420000              1.0000000        
F   1
  1      1.2040000              1.0000000        
F   1
  1      0.4930000              1.0000000        
G   1
  1      2.5110000              1.0000000        
G   1
  1      0.9420000              1.0000000        
H   1
  1      1.7680000              1.0000000        


name: cc-pV5Z
description: V5Z4P Valence Quintuple Zeta + Polarization on All Atoms
elt: O
data:
OXYGEN
S   10
  1 164200.0000000              0.0000260        
  2  24590.0000000              0.0002050        
  3   5592.0000000              0.0010760        
  4   1582.0000000              0.0045220        
  5    516.1000000              0.0161080        
  6    187.2000000              0.0490850        
  7     73.9300000              0.1248570        
  8     31.2200000              0.2516860        
  9     13.8100000              0.3624200        
 10      6.2560000              0.2790510        
S   10
  1 164200.0000000             -0.0000060        
  2  24590.0000000             -0.0000460        
  3   5592.0000000             -0.0002440        
  4   1582.0000000             -0.0010310        
  5    516.1000000             -0.0036880        
  6    187.2000000             -0.0115140        
  7     73.9300000             -0.0304350        
  8     31.2200000             -0.0681470        
  9     13.8100000             -0.1203680        
 10      6.2560000             -0.1482600        
S   1
  1      2.7760000              1.0000000        
S   1
  1      1.1380000              1.0000000        
S   1
  1      0.4600000              1.0000000        
S   1
  1      0.1829000              1.0000000        
P   4
  1    195.5000000              0.0009180        
  2     46.1600000              0.0073880        
  3     14.5800000              0.0349580        
  4      5.2960000              0.1154310        
P   1
  1      2.0940000              1.0000000        
P   1
  1      0.8471000              1.0000000        
P   1
  1      0.3368000              1.0000000        
P   1
  1      0.1285000              1.0000000        
D   1
  1      5.8790000              1.0000000        
D   1
  1      2.3070000              1.0000000        
D   1
  1      0.9050000              1.0000000        
D   1
  1      0.3550000              1.0000000        
F   1
  1      4.0160000              1.0000000        
F   1
  1      1.5540000              1.0000000        
F   1
  1      0.6010000              1.0000000        
G   1
  1      3.3500000              1.0000000        
G   1
  1      1.1890000              1.0000000        
H   1
  1      2.3190000              1.0000000        


name: cc-pV5Z
description: V5Z4P Valence Quintuple Zeta + Polarization on All Atoms
elt: F
data:
FLUORINE
S   10
  1 211400.0000000              0.0000260        
  2  31660.0000000              0.0002010        
  3   7202.0000000              0.0010560        
  4   2040.0000000              0.0044320        
  5    666.4000000              0.0157660        
  6    242.0000000              0.0481120        
  7     95.5300000              0.1232320        
  8     40.2300000              0.2515190        
  9     17.7200000              0.3645250        
 10      8.0050000              0.2797660        
S   10
  1 211400.0000000             -0.0000060        
  2  31660.0000000             -0.0000470        
  3   7202.0000000             -0.0002440        
  4   2040.0000000             -0.0010310        
  5    666.4000000             -0.0036830        
  6    242.0000000             -0.0115130        
  7     95.5300000             -0.0306630        
  8     40.2300000             -0.0695720        
  9     17.7200000             -0.1239920        
 10      8.0050000             -0.1502140        
S   1
  1      3.5380000              1.0000000        
S   1
  1      1.4580000              1.0000000        
S   1
  1      0.5887000              1.0000000        
S   1
  1      0.2324000              1.0000000        
P   4
  1    241.9000000              0.0010020        
  2     57.1700000              0.0080540        
  3     18.1300000              0.0380480        
  4      6.6240000              0.1237790        
P   1
  1      2.6220000              1.0000000        
P   1
  1      1.0570000              1.0000000        
P   1
  1      0.4176000              1.0000000        
P   1
  1      0.1574000              1.0000000        
D   1
  1      7.7600000              1.0000000        
D   1
  1      3.0320000              1.0000000        
D   1
  1      1.1850000              1.0000000        
D   1
  1      0.4630000              1.0000000        
F   1
  1      5.3980000              1.0000000        
F   1
  1      2.0780000              1.0000000        
F   1
  1      0.8000000              1.0000000        
G   1
  1      4.3380000              1.0000000        
G   1
  1      1.5130000              1.0000000        
H   1
  1      2.9950000              1.0000000        


name: cc-pV5Z
description: V5Z4P Valence Quintuple Zeta + Polarization on All Atoms
elt: Ne
data:
NEON
S   10
  1 262700.0000000              0.0000260        
  2  39350.0000000              0.0002000        
  3   8955.0000000              0.0010500        
  4   2538.0000000              0.0044000        
  5    829.9000000              0.0156490        
  6    301.5000000              0.0477580        
  7    119.0000000              0.1229430        
  8     50.0000000              0.2524830        
  9     21.9800000              0.3663140        
 10      9.8910000              0.2796170        
S   10
  1 262700.0000000             -0.0000060        
  2  39350.0000000             -0.0000470        
  3   8955.0000000             -0.0002470        
  4   2538.0000000             -0.0010380        
  5    829.9000000             -0.0037110        
  6    301.5000000             -0.0115930        
  7    119.0000000             -0.0310860        
  8     50.0000000             -0.0709720        
  9     21.9800000             -0.1272660        
 10      9.8910000             -0.1512310        
S   1
  1      4.3270000              1.0000000        
S   1
  1      1.8040000              1.0000000        
S   1
  1      0.7288000              1.0000000        
S   1
  1      0.2867000              1.0000000        
P   4
  1    299.1000000              0.0010380        
  2     70.7300000              0.0083750        
  3     22.4800000              0.0396930        
  4      8.2460000              0.1280560        
P   1
  1      3.2690000              1.0000000        
P   1
  1      1.3150000              1.0000000        
P   1
  1      0.5158000              1.0000000        
P   1
  1      0.1918000              1.0000000        
D   1
  1      9.8370000              1.0000000        
D   1
  1      3.8440000              1.0000000        
D   1
  1      1.5020000              1.0000000        
D   1
  1      0.5870000              1.0000000        
F   1
  1      7.0900000              1.0000000        
F   1
  1      2.7380000              1.0000000        
F   1
  1      1.0570000              1.0000000        
G   1
  1      5.4600000              1.0000000        
G   1
  1      1.8800000              1.0000000        
H   1
  1      3.7760000              1.0000000        


name: cc-pV5Z
description: V5Z4P Valence Quintuple Zeta + Polarization on All Atoms
elt: Na
data:
SODIUM
S   15
  1 1224000.0000000             0.00000500       
  2 183200.0000000              0.00003700       
  3  41700.0000000              0.00019600       
  4  11810.0000000              0.00082700       
  5   3853.0000000              0.00300300       
  6   1391.0000000              0.00970300       
  7    542.5000000              0.02823400       
  8    224.9000000              0.07320600       
  9     97.9300000              0.16289700       
 10     44.3100000              0.28870800       
 11     20.6500000              0.34682900       
 12      9.7290000              0.20686500       
 13      4.2280000              0.03280100       
 14      1.9690000             -0.00064800       
 15      0.8890000              0.00145900       
S   15
  1 1224000.0000000            -0.00000100       
  2 183200.0000000             -0.00000900       
  3  41700.0000000             -0.00004800       
  4  11810.0000000             -0.00020200       
  5   3853.0000000             -0.00073600       
  6   1391.0000000             -0.00238700       
  7    542.5000000             -0.00705000       
  8    224.9000000             -0.01878600       
  9     97.9300000             -0.04461500       
 10     44.3100000             -0.08977400       
 11     20.6500000             -0.14294000       
 12      9.7290000             -0.12431500       
 13      4.2280000              0.09996500       
 14      1.9690000              0.41708000       
 15      0.8890000              0.47512300       
S   14
  1 183200.0000000              0.00000100       
  2  41700.0000000              0.00000700       
  3  11810.0000000              0.00003000       
  4   3853.0000000              0.00011100       
  5   1391.0000000              0.00035900       
  6    542.5000000              0.00106300       
  7    224.9000000              0.00282700       
  8     97.9300000              0.00676700       
  9     44.3100000              0.01364800       
 10     20.6500000              0.02228100       
 11      9.7290000              0.01960100       
 12      4.2280000             -0.01677100       
 13      1.9690000             -0.07737300       
 14      0.8890000             -0.11350100       
S   1
  1      0.3964000              1.0000000        
S   1
  1      0.0699300              1.0000000        
S   1
  1      0.0328900              1.0000000        
S   1
  1      0.0161200              1.0000000        
P   8
  1    413.4000000              0.00090800       
  2     97.9800000              0.00741800       
  3     31.3700000              0.03574600       
  4     11.6200000              0.11852000       
  5      4.6710000              0.26140300       
  6      1.9180000              0.37839500       
  7      0.7775000              0.33463200       
  8      0.3013000              0.12684400       
P   8
  1    413.4000000             -0.00009000       
  2     97.9800000             -0.00073900       
  3     31.3700000             -0.00357300       
  4     11.6200000             -0.01201400       
  5      4.6710000             -0.02671800       
  6      1.9180000             -0.03927500       
  7      0.7775000             -0.03760800       
  8      0.3013000             -0.04332300       
P   1
  1      0.2275000              1.0000000        
P   1
  1      0.0752700              1.0000000        
P   1
  1      0.0312600              1.0000000        
P   1
  1      0.0134200              1.0000000        
D   1
  1      0.2734000              1.0000000        
D   1
  1      0.1538000              1.0000000        
D   1
  1      0.0865000              1.0000000        
D   1
  1      0.0487000              1.0000000        
F   1
  1      0.4000000              1.0000000        
F   1
  1      0.1912000              1.0000000        
F   1
  1      0.1036000              1.0000000        
G   1
  1      0.4250000              1.0000000        
G   1
  1      0.1722000              1.0000000        
H   1
  1      0.2000000              1.0000000        


name: cc-pV5Z
description: V5Z4P Valence Quintuple Zeta + Polarization on All Atoms
elt: Mg
data:
MAGNESIUM
S   16
  1 2968000.0000000             0.197177D-05     
  2 444300.0000000              0.153362D-04     
  3 101100.0000000              0.806852D-04     
  4  28640.0000000              0.340771D-03     
  5   9343.0000000              0.124194D-02     
  6   3373.0000000              0.404124D-02     
  7   1316.0000000              0.119797D-01     
  8    545.8000000              0.324253D-01     
  9    238.1000000              0.789332D-01     
 10    108.2000000              0.166575D+00     
 11     50.8000000              0.282871D+00     
 12     24.4800000              0.331890D+00     
 13     11.9300000              0.203287D+00     
 14      5.5430000              0.382897D-01     
 15      2.6750000              0.308916D-03     
 16      1.2630000              0.138907D-02     
S   16
  1 2968000.0000000            -0.498160D-06     
  2 444300.0000000             -0.387563D-05     
  3 101100.0000000             -0.203854D-04     
  4  28640.0000000             -0.861659D-04     
  5   9343.0000000             -0.314176D-03     
  6   3373.0000000             -0.102577D-02     
  7   1316.0000000             -0.305816D-02     
  8    545.8000000             -0.841063D-02     
  9    238.1000000             -0.211202D-01     
 10    108.2000000             -0.476882D-01     
 11     50.8000000             -0.924119D-01     
 12     24.4800000             -0.142548D+00     
 13     11.9300000             -0.126168D+00     
 14      5.5430000              0.715282D-01     
 15      2.6750000              0.383039D+00     
 16      1.2630000              0.490133D+00     
S   16
  1 2968000.0000000             0.960175D-07     
  2 444300.0000000              0.746164D-06     
  3 101100.0000000              0.393119D-05     
  4  28640.0000000              0.165812D-04     
  5   9343.0000000              0.606257D-04     
  6   3373.0000000              0.197322D-03     
  7   1316.0000000              0.590881D-03     
  8    545.8000000              0.161904D-02     
  9    238.1000000              0.409756D-02     
 10    108.2000000              0.922989D-02     
 11     50.8000000              0.182168D-01     
 12     24.4800000              0.282884D-01     
 13     11.9300000              0.265059D-01     
 14      5.5430000             -0.172053D-01     
 15      2.6750000             -0.885917D-01     
 16      1.2630000             -0.163871D+00     
S   1
  1      0.5883000              1.0000000        
S   1
  1      0.1496000              1.0000000        
S   1
  1      0.0670000              1.0000000        
S   1
  1      0.0295200              1.0000000        
P   10
  1   1441.0000000              0.152407D-03     
  2    341.4000000              0.132764D-02     
  3    110.7000000              0.721937D-02     
  4     41.9700000              0.285205D-01     
  5     17.4900000              0.865346D-01     
  6      7.7530000              0.194950D+00     
  7      3.5340000              0.312051D+00     
  8      1.6140000              0.348476D+00     
  9      0.7299000              0.218886D+00     
 10      0.3029000              0.435579D-01     
P   10
  1   1441.0000000             -0.241031D-04     
  2    341.4000000             -0.210809D-03     
  3    110.7000000             -0.114530D-02     
  4     41.9700000             -0.456417D-02     
  5     17.4900000             -0.139603D-01     
  6      7.7530000             -0.321105D-01     
  7      3.5340000             -0.516217D-01     
  8      1.6140000             -0.613713D-01     
  9      0.7299000             -0.442465D-01     
 10      0.3029000              0.523191D-01     
P   1
  1      0.1583000              1.0000000        
P   1
  1      0.0819000              1.0000000        
P   1
  1      0.0412300              1.0000000        
P   1
  1      0.0198800              1.0000000        
D   1
  1      0.1100000              1.0000000        
D   1
  1      0.2420000              1.0000000        
D   1
  1      0.5320000              1.0000000        
D   1
  1      1.1710000              1.0000000        
F   1
  1      0.1550000              1.0000000        
F   1
  1      0.2640000              1.0000000        
F   1
  1      0.4480000              1.0000000        
G   1
  1      0.2400000              1.0000000        
G   1
  1      0.4440000              1.0000000        
H   1
  1      0.3750000              1.0000000        


name: cc-pV5Z
description: V5Z4P Valence Quintuple Zeta + Polarization on All Atoms
elt: Al
data:
ALUMINUM
S   16
  1 3269000.0000000             0.213962D-05     
  2 489400.0000000              0.166264D-04     
  3 111400.0000000              0.875168D-04     
  4  31560.0000000              0.368990D-03     
  5  10320.0000000              0.133903D-02     
  6   3731.0000000              0.435636D-02     
  7   1456.0000000              0.128955D-01     
  8    604.1000000              0.348201D-01     
  9    263.5000000              0.843530D-01     
 10    119.8000000              0.175907D+00     
 11     56.3200000              0.292091D+00     
 12     27.1900000              0.328220D+00     
 13     13.2600000              0.186927D+00     
 14      6.0520000              0.310430D-01     
 15      2.9810000             -0.508922D-03     
 16      1.4760000              0.148836D-02     
S   16
  1 3269000.0000000            -0.556026D-06     
  2 489400.0000000             -0.432303D-05     
  3 111400.0000000             -0.227413D-04     
  4  31560.0000000             -0.960116D-04     
  5  10320.0000000             -0.348376D-03     
  6   3731.0000000             -0.113836D-02     
  7   1456.0000000             -0.338744D-02     
  8    604.1000000             -0.931505D-02     
  9    263.5000000             -0.233023D-01     
 10    119.8000000             -0.523486D-01     
 11     56.3200000             -0.999499D-01     
 12     27.1900000             -0.150560D+00     
 13     13.2600000             -0.119121D+00     
 14      6.0520000              0.108091D+00     
 15      2.9810000              0.411129D+00     
 16      1.4760000              0.457214D+00     
S   16
  1 3269000.0000000             0.128423D-06     
  2 489400.0000000              0.997514D-06     
  3 111400.0000000              0.525480D-05     
  4  31560.0000000              0.221450D-04     
  5  10320.0000000              0.805464D-04     
  6   3731.0000000              0.262506D-03     
  7   1456.0000000              0.784220D-03     
  8    604.1000000              0.215039D-02     
  9    263.5000000              0.541974D-02     
 10    119.8000000              0.121686D-01     
 11     56.3200000              0.236823D-01     
 12     27.1900000              0.360937D-01     
 13     13.2600000              0.303284D-01     
 14      6.0520000             -0.309034D-01     
 15      2.9810000             -0.119126D+00     
 16      1.4760000             -0.211145D+00     
S   1
  1      0.7334000              1.0000000        
S   1
  1      0.2447000              1.0000000        
S   1
  1      0.1088000              1.0000000        
S   1
  1      0.0467200              1.0000000        
P   8
  1   1461.0000000              0.208613D-03     
  2    346.2000000              0.181005D-02     
  3    112.2000000              0.973433D-02     
  4     42.5100000              0.378266D-01     
  5     17.7200000              0.110898D+00     
  6      7.8520000              0.234295D+00     
  7      3.5710000              0.345245D+00     
  8      1.6370000              0.331430D+00     
P   8
  1   1461.0000000             -0.371947D-04     
  2    346.2000000             -0.328563D-03     
  3    112.2000000             -0.174264D-02     
  4     42.5100000             -0.694828D-02     
  5     17.7200000             -0.202807D-01     
  6      7.8520000             -0.448657D-01     
  7      3.5710000             -0.643278D-01     
  8      1.6370000             -0.752666D-01     
P   1
  1      0.7382000              1.0000000        
P   1
  1      0.2577000              1.0000000        
P   1
  1      0.0977300              1.0000000        
P   1
  1      0.0369000              1.0000000        
D   1
  1      1.3170000              1.0000000        
D   1
  1      0.5260000              1.0000000        
D   1
  1      0.2100000              1.0000000        
D   1
  1      0.0840000              1.0000000        
F   1
  1      0.1300000              1.0000000        
F   1
  1      0.2580000              1.0000000        
F   1
  1      0.5130000              1.0000000        
G   1
  1      0.2520000              1.0000000        
G   1
  1      0.5430000              1.0000000        
H   1
  1      0.4460000              1.0000000        


name: cc-pV5Z
description: V5Z4P Valence Quintuple Zeta + Polarization on All Atoms
elt: Si
data:
SILICON
S   16
  1 3948000.0000000             0.203712D-05     
  2 591100.0000000              0.158394D-04     
  3 134500.0000000              0.833590D-04     
  4  38120.0000000              0.351361D-03     
  5  12460.0000000              0.127660D-02     
  6   4504.0000000              0.415191D-02     
  7   1758.0000000              0.123030D-01     
  8    729.1000000              0.333102D-01     
  9    318.0000000              0.809845D-01     
 10    144.6000000              0.170290D+00     
 11     67.9700000              0.286879D+00     
 12     32.8200000              0.330340D+00     
 13     16.0300000              0.196602D+00     
 14      7.3960000              0.354535D-01     
 15      3.6610000             -0.535204D-03     
 16      1.8230000              0.161465D-02     
S   16
  1 3948000.0000000            -0.542085D-06     
  2 591100.0000000             -0.421677D-05     
  3 134500.0000000             -0.221813D-04     
  4  38120.0000000             -0.936028D-04     
  5  12460.0000000             -0.340116D-03     
  6   4504.0000000             -0.111061D-02     
  7   1758.0000000             -0.330878D-02     
  8    729.1000000             -0.911602D-02     
  9    318.0000000             -0.228790D-01     
 10    144.6000000             -0.517119D-01     
 11     67.9700000             -0.999091D-01     
 12     32.8200000             -0.152747D+00     
 13     16.0300000             -0.127508D+00     
 14      7.3960000              0.946963D-01     
 15      3.6610000              0.414036D+00     
 16      1.8230000              0.467934D+00     
S   16
  1 3948000.0000000             0.138907D-06     
  2 591100.0000000              0.107953D-05     
  3 134500.0000000              0.568628D-05     
  4  38120.0000000              0.239537D-04     
  5  12460.0000000              0.872409D-04     
  6   4504.0000000              0.284163D-03     
  7   1758.0000000              0.849840D-03     
  8    729.1000000              0.233527D-02     
  9    318.0000000              0.590466D-02     
 10    144.6000000              0.133461D-01     
 11     67.9700000              0.262889D-01     
 12     32.8200000              0.407426D-01     
 13     16.0300000              0.361476D-01     
 14      7.3960000             -0.303923D-01     
 15      3.6610000             -0.135961D+00     
 16      1.8230000             -0.250144D+00     
S   1
  1      0.9147000              1.0000000        
S   1
  1      0.3393000              1.0000000        
S   1
  1      0.1500000              1.0000000        
S   1
  1      0.0643800              1.0000000        
P   8
  1   1780.0000000              0.201206D-03     
  2    421.8000000              0.174937D-02     
  3    136.7000000              0.948141D-02     
  4     51.8100000              0.372313D-01     
  5     21.6000000              0.110763D+00     
  6      9.5630000              0.237933D+00     
  7      4.3500000              0.353691D+00     
  8      2.0060000              0.328839D+00     
P   8
  1   1780.0000000             -0.427152D-04     
  2    421.8000000             -0.377039D-03     
  3    136.7000000             -0.202240D-02     
  4     51.8100000             -0.812833D-02     
  5     21.6000000             -0.242272D-01     
  6      9.5630000             -0.543825D-01     
  7      4.3500000             -0.799051D-01     
  8      2.0060000             -0.888958D-01     
P   1
  1      0.9205000              1.0000000        
P   1
  1      0.3500000              1.0000000        
P   1
  1      0.1381000              1.0000000        
P   1
  1      0.0533800              1.0000000        
D   1
  1      0.1260000              1.0000000        
D   1
  1      0.3210000              1.0000000        
D   1
  1      0.8170000              1.0000000        
D   1
  1      2.0820000              1.0000000        
F   1
  1      0.1690000              1.0000000        
F   1
  1      0.3410000              1.0000000        
F   1
  1      0.6880000              1.0000000        
G   1
  1      0.3200000              1.0000000        
G   1
  1      0.7050000              1.0000000        
H   1
  1      0.5830000              1.0000000        


name: cc-pV5Z
description: V5Z4P Valence Quintuple Zeta + Polarization on All Atoms
elt: P
data:
PHOSPHOROUS
S   16
  1 4666000.0000000             0.196759D-05     
  2 698600.0000000              0.152963D-04     
  3 159000.0000000              0.804826D-04     
  4  45040.0000000              0.339737D-03     
  5  14720.0000000              0.123291D-02     
  6   5323.0000000              0.401345D-02     
  7   2076.0000000              0.119124D-01     
  8    861.1000000              0.322511D-01     
  9    375.7000000              0.786643D-01     
 10    170.8000000              0.166458D+00     
 11     80.2900000              0.283039D+00     
 12     38.7700000              0.331942D+00     
 13     18.9300000              0.203352D+00     
 14      8.7960000              0.383183D-01     
 15      4.3580000             -0.384720D-03     
 16      2.1740000              0.158744D-02     
S   16
  1 4666000.0000000            -0.534153D-06     
  2 698600.0000000             -0.415422D-05     
  3 159000.0000000             -0.218484D-04     
  4  45040.0000000             -0.923272D-04     
  5  14720.0000000             -0.335109D-03     
  6   5323.0000000             -0.109508D-02     
  7   2076.0000000             -0.326798D-02     
  8    861.1000000             -0.899951D-02     
  9    375.7000000             -0.226528D-01     
 10    170.8000000             -0.514650D-01     
 11     80.2900000             -0.100186D+00     
 12     38.7700000             -0.155075D+00     
 13     18.9300000             -0.133818D+00     
 14      8.7960000              0.878361D-01     
 15      4.3580000              0.422581D+00     
 16      2.1740000              0.474899D+00     
S   16
  1 4666000.0000000             0.146776D-06     
  2 698600.0000000              0.114064D-05     
  3 159000.0000000              0.600568D-05     
  4  45040.0000000              0.253427D-04     
  5  14720.0000000              0.921606D-04     
  6   5323.0000000              0.300563D-03     
  7   2076.0000000              0.899884D-03     
  8    861.1000000              0.247354D-02     
  9    375.7000000              0.626812D-02     
 10    170.8000000              0.142598D-01     
 11     80.2900000              0.282769D-01     
 12     38.7700000              0.445124D-01     
 13     18.9300000              0.407217D-01     
 14      8.7960000             -0.301908D-01     
 15      4.3580000             -0.152894D+00     
 16      2.1740000             -0.282411D+00     
S   1
  1      1.0950000              1.0000000        
S   1
  1      0.4400000              1.0000000        
S   1
  1      0.1945000              1.0000000        
S   1
  1      0.0837600              1.0000000        
P   8
  1   2010.0000000              0.215915D-03     
  2    476.3000000              0.187536D-02     
  3    154.4000000              0.101742D-01     
  4     58.5100000              0.399856D-01     
  5     24.4000000              0.118563D+00     
  6     10.8000000              0.251816D+00     
  7      4.9130000              0.366565D+00     
  8      2.2690000              0.316177D+00     
P   8
  1   2010.0000000             -0.511444D-04     
  2    476.3000000             -0.448356D-03     
  3    154.4000000             -0.242340D-02     
  4     58.5100000             -0.969826D-02     
  5     24.4000000             -0.290965D-01     
  6     10.8000000             -0.641726D-01     
  7      4.9130000             -0.945071D-01     
  8      2.2690000             -0.934700D-01     
P   1
  1      1.0430000              1.0000000        
P   1
  1      0.4313000              1.0000000        
P   1
  1      0.1767000              1.0000000        
P   1
  1      0.0700900              1.0000000        
D   1
  1      0.1660000              1.0000000        
D   1
  1      0.4180000              1.0000000        
D   1
  1      1.0540000              1.0000000        
D   1
  1      2.6560000              1.0000000        
F   1
  1      0.2190000              1.0000000        
F   1
  1      0.4500000              1.0000000        
F   1
  1      0.9230000              1.0000000        
G   1
  1      0.4120000              1.0000000        
G   1
  1      0.9030000              1.0000000        
H   1
  1      0.7450000              1.0000000        


name: cc-pV5Z
description: V5Z4P Valence Quintuple Zeta + Polarization on All Atoms
elt: S
data:
SULFUR
S   16
  1 5481000.0000000             0.189338D-05     
  2 820600.0000000              0.147211D-04     
  3 186700.0000000              0.775084D-04     
  4  52880.0000000              0.327224D-03     
  5  17250.0000000              0.119365D-02     
  6   6226.0000000              0.388393D-02     
  7   2429.0000000              0.115336D-01     
  8   1007.0000000              0.312748D-01     
  9    439.5000000              0.764387D-01     
 10    199.8000000              0.162700D+00     
 11     93.9200000              0.279328D+00     
 12     45.3400000              0.333145D+00     
 13     22.1500000              0.209836D+00     
 14     10.3400000              0.415974D-01     
 15      5.1190000             -0.450552D-03     
 16      2.5530000              0.168855D-02     
S   16
  1 5481000.0000000            -0.522912D-06     
  2 820600.0000000             -0.406690D-05     
  3 186700.0000000             -0.214065D-04     
  4  52880.0000000             -0.904540D-04     
  5  17250.0000000             -0.330080D-03     
  6   6226.0000000             -0.107782D-02     
  7   2429.0000000             -0.321874D-02     
  8   1007.0000000             -0.887217D-02     
  9    439.5000000             -0.223771D-01     
 10    199.8000000             -0.510577D-01     
 11     93.9200000             -0.100225D+00     
 12     45.3400000             -0.156795D+00     
 13     22.1500000             -0.139748D+00     
 14     10.3400000              0.810059D-01     
 15      5.1190000              0.430883D+00     
 16      2.5530000              0.481688D+00     
S   16
  1 5481000.0000000             0.151823D-06     
  2 820600.0000000              0.118008D-05     
  3 186700.0000000              0.621699D-05     
  4  52880.0000000              0.262405D-04     
  5  17250.0000000              0.959040D-04     
  6   6226.0000000              0.312678D-03     
  7   2429.0000000              0.936322D-03     
  8   1007.0000000              0.257790D-02     
  9    439.5000000              0.654121D-02     
 10    199.8000000              0.149630D-01     
 11     93.9200000              0.298940D-01     
 12     45.3400000              0.476946D-01     
 13     22.1500000              0.449556D-01     
 14     10.3400000             -0.293009D-01     
 15      5.1190000             -0.168916D+00     
 16      2.5530000             -0.311014D+00     
S   1
  1      1.2820000              1.0000000        
S   1
  1      0.5450000              1.0000000        
S   1
  1      0.2411000              1.0000000        
S   1
  1      0.1035000              1.0000000        
P   8
  1   2200.0000000              0.239049D-03     
  2    521.4000000              0.207686D-02     
  3    169.0000000              0.112363D-01     
  4     64.0500000              0.440690D-01     
  5     26.7200000              0.129168D+00     
  6     11.8300000              0.269083D+00     
  7      5.3780000              0.378611D+00     
  8      2.4820000              0.296779D+00     
P   8
  1   2200.0000000             -0.608562D-04     
  2    521.4000000             -0.530419D-03     
  3    169.0000000             -0.287915D-02     
  4     64.0500000             -0.114397D-01     
  5     26.7200000             -0.342764D-01     
  6     11.8300000             -0.735811D-01     
  7      5.3780000             -0.107782D+00     
  8      2.4820000             -0.879769D-01     
P   1
  1      1.1160000              1.0000000        
P   1
  1      0.4848000              1.0000000        
P   1
  1      0.2006000              1.0000000        
P   1
  1      0.0795100              1.0000000        
D   1
  1      0.2050000              1.0000000        
D   1
  1      0.5120000              1.0000000        
D   1
  1      1.2810000              1.0000000        
D   1
  1      3.2030000              1.0000000        
F   1
  1      0.2550000              1.0000000        
F   1
  1      0.5290000              1.0000000        
F   1
  1      1.0960000              1.0000000        
G   1
  1      0.4630000              1.0000000        
G   1
  1      1.0710000              1.0000000        
H   1
  1      0.8720000              1.0000000        


name: cc-pV5Z
description: V5Z4P Valence Quintuple Zeta + Polarization on All Atoms
elt: Cl
data:
CHLORINE
S   16
  1 6410000.0000000             0.181350D-05     
  2 959600.0000000              0.141118D-04     
  3 218300.0000000              0.742406D-04     
  4  61810.0000000              0.314131D-03     
  5  20140.0000000              0.114642D-02     
  6   7264.0000000              0.373888D-02     
  7   2832.0000000              0.110946D-01     
  8   1175.0000000              0.301152D-01     
  9    512.6000000              0.739145D-01     
 10    233.0000000              0.158258D+00     
 11    109.5000000              0.274753D+00     
 12     52.8600000              0.334066D+00     
 13     25.8400000              0.217589D+00     
 14     12.1700000              0.457278D-01     
 15      6.0300000             -0.134739D-03     
 16      3.0120000              0.163933D-02     
S   16
  1 6410000.0000000            -0.508303D-06     
  2 959600.0000000             -0.395633D-05     
  3 218300.0000000             -0.208095D-04     
  4  61810.0000000             -0.881175D-04     
  5  20140.0000000             -0.321742D-03     
  6   7264.0000000             -0.105277D-02     
  7   2832.0000000             -0.314183D-02     
  8   1175.0000000             -0.866363D-02     
  9    512.6000000             -0.219353D-01     
 10    233.0000000             -0.502584D-01     
 11    109.5000000             -0.995414D-01     
 12     52.8600000             -0.157647D+00     
 13     25.8400000             -0.146024D+00     
 14     12.1700000              0.692230D-01     
 15      6.0300000              0.430412D+00     
 16      3.0120000              0.490802D+00     
S   16
  1 6410000.0000000             0.153808D-06     
  2 959600.0000000              0.119654D-05     
  3 218300.0000000              0.629828D-05     
  4  61810.0000000              0.266450D-04     
  5  20140.0000000              0.974162D-04     
  6   7264.0000000              0.318360D-03     
  7   2832.0000000              0.952377D-03     
  8   1175.0000000              0.262430D-02     
  9    512.6000000              0.668160D-02     
 10    233.0000000              0.153595D-01     
 11    109.5000000              0.309432D-01     
 12     52.8600000              0.500638D-01     
 13     25.8400000              0.489782D-01     
 14     12.1700000             -0.260807D-01     
 15      6.0300000             -0.178426D+00     
 16      3.0120000             -0.332324D+00     
S   1
  1      1.5110000              1.0000000        
S   1
  1      0.6604000              1.0000000        
S   1
  1      0.2926000              1.0000000        
S   1
  1      0.1254000              1.0000000        
P   8
  1   2548.0000000              0.235702D-03     
  2    603.7000000              0.205158D-02     
  3    195.6000000              0.111543D-01     
  4     74.1500000              0.439816D-01     
  5     30.9400000              0.129994D+00     
  6     13.6900000              0.272959D+00     
  7      6.2290000              0.383690D+00     
  8      2.8780000              0.291870D+00     
P   8
  1   2548.0000000             -0.635410D-04     
  2    603.7000000             -0.553259D-03     
  3    195.6000000             -0.302795D-02     
  4     74.1500000             -0.120650D-01     
  5     30.9400000             -0.366348D-01     
  6     13.6900000             -0.790764D-01     
  7      6.2290000             -0.117422D+00     
  8      2.8780000             -0.860943D-01     
P   1
  1      1.2820000              1.0000000        
P   1
  1      0.5641000              1.0000000        
P   1
  1      0.2348000              1.0000000        
P   1
  1      0.0931200              1.0000000        
D   1
  1      0.2500000              1.0000000        
D   1
  1      0.6180000              1.0000000        
D   1
  1      1.5290000              1.0000000        
D   1
  1      3.7810000              1.0000000        
F   1
  1      0.3200000              1.0000000        
F   1
  1      0.6560000              1.0000000        
F   1
  1      1.3450000              1.0000000        
G   1
  1      0.5560000              1.0000000        
G   1
  1      1.3020000              1.0000000        
H   1
  1      1.0530000              1.0000000        


name: cc-pV5Z
description: V5Z4P Valence Quintuple Zeta + Polarization on All Atoms
elt: Ar
data:
ARGON
S   16
  1 7401000.0000000             0.00000175       
  2 1108000.0000000             0.00001361       
  3 252100.0000000              0.00007163       
  4  71380.0000000              0.00030303       
  5  23260.0000000              0.00110608       
  6   8390.0000000              0.00360671       
  7   3271.0000000              0.01071321       
  8   1357.0000000              0.02910677       
  9    592.0000000              0.07166011       
 10    269.1000000              0.15414053       
 11    126.5000000              0.27041707       
 12     61.0300000              0.33485470       
 13     29.8600000              0.22434631       
 14     14.1700000              0.05000284       
 15      7.0220000              0.00006459       
 16      3.5110000              0.00168641       
S   16
  1 7401000.0000000            -0.00000050       
  2 1108000.0000000            -0.00000387       
  3 252100.0000000             -0.00002034       
  4  71380.0000000             -0.00008609       
  5  23260.0000000             -0.00031444       
  6   8390.0000000             -0.00102841       
  7   3271.0000000             -0.00307267       
  8   1357.0000000             -0.00847532       
  9    592.0000000             -0.02152008       
 10    269.1000000             -0.04944932       
 11    126.5000000             -0.09877592       
 12     61.0300000             -0.15830822       
 13     29.8600000             -0.15140298       
 14     14.1700000              0.05824264       
 15      7.0220000              0.42938305       
 16      3.5110000              0.49908884       
S   16
  1 7401000.0000000             0.00000016       
  2 1108000.0000000             0.00000121       
  3 252100.0000000              0.00000636       
  4  71380.0000000              0.00002689       
  5  23260.0000000              0.00009834       
  6   8390.0000000              0.00032129       
  7   3271.0000000              0.00096200       
  8   1357.0000000              0.00265245       
  9    592.0000000              0.00677035       
 10    269.1000000              0.01561727       
 11    126.5000000              0.03171666       
 12     61.0300000              0.05199742       
 13     29.8600000              0.05247514       
 14     14.1700000             -0.02264147       
 15      7.0220000             -0.18606229       
 16      3.5110000             -0.35014547       
S   1
  1      1.7580000              1.0000000        
S   1
  1      0.7841000              1.0000000        
S   1
  1      0.3480000              1.0000000        
S   1
  1      0.1491000              1.0000000        
P   8
  1   2927.0000000              0.00023199       
  2    693.5000000              0.00202329       
  3    224.7000000              0.01103401       
  4     85.1700000              0.04383970       
  5     35.5300000              0.13035904       
  6     15.7300000              0.27574991       
  7      7.1650000              0.38764330       
  8      3.3220000              0.28740741       
P   8
  1   2927.0000000             -0.00006491       
  2    693.5000000             -0.00056531       
  3    224.7000000             -0.00310988       
  4     85.1700000             -0.01246964       
  5     35.5300000             -0.03822465       
  6     15.7300000             -0.08307918       
  7      7.1650000             -0.12459409       
  8      3.3220000             -0.08329713       
P   1
  1      1.4780000              1.0000000        
P   1
  1      0.6552000              1.0000000        
P   1
  1      0.2751000              1.0000000        
P   1
  1      0.1097000              1.0000000        
D   1
  1      0.3090000              1.0000000        
D   1
  1      0.7700000              1.0000000        
D   1
  1      1.9170000              1.0000000        
D   1
  1      4.7760000              1.0000000        
F   1
  1      0.4080000              1.0000000        
F   1
  1      0.8250000              1.0000000        
F   1
  1      1.6680000              1.0000000        
G   1
  1      0.6650000              1.0000000        
G   1
  1      1.5620000              1.0000000        
H   1
  1      1.2640000              1.0000000        


name: cc-pV5Z
description: V5Z4P Valence Quintuple Zeta + Polarization on All Atoms
elt: Ca
data:
CALCIUM
S   22
  1 28249600.0000000            0.00000043       
  2 4250190.0000000             0.00000329       
  3 975014.0000000              0.00001714       
  4 277446.0000000              0.00007228       
  5  90454.7000000              0.00026522       
  6  32515.9000000              0.00087484       
  7  12610.6000000              0.00264991       
  8   5190.7700000              0.00748447       
  9   2242.3300000              0.01973093       
 10   1011.5300000              0.04779799       
 11    475.5470000              0.10359562       
 12    232.0720000              0.19293018       
 13    116.8740000              0.28626757       
 14     60.3427000              0.29278494       
 15     31.5244000              0.16312798       
 16     16.0308000              0.03221688       
 17      8.4599200              0.00059258       
 18      4.5271800              0.00104790       
 19      2.4185900             -0.00038379       
 20      1.2512900              0.00015772       
 21      0.6434300             -0.00014357       
 22      0.3291800              0.00005770       
S   22
  1 28249600.0000000           -0.00000012       
  2 4250190.0000000            -0.00000096       
  3 975014.0000000             -0.00000497       
  4 277446.0000000             -0.00002099       
  5  90454.7000000             -0.00007701       
  6  32515.9000000             -0.00025431       
  7  12610.6000000             -0.00077168       
  8   5190.7700000             -0.00219083       
  9   2242.3300000             -0.00583567       
 10   1011.5300000             -0.01446869       
 11    475.5470000             -0.03280384       
 12    232.0720000             -0.06674435       
 13    116.8740000             -0.11668667       
 14     60.3427000             -0.15919701       
 15     31.5244000             -0.11620650       
 16     16.0308000              0.10547012       
 17      8.4599200              0.42483472       
 18      4.5271800              0.45779736       
 19      2.4185900              0.16619966       
 20      1.2512900              0.01462386       
 21      0.6434300              0.00204654       
 22      0.3291800              0.00019519       
S   22
  1 28249600.0000000            0.00000004       
  2 4250190.0000000             0.00000033       
  3 975014.0000000              0.00000172       
  4 277446.0000000              0.00000724       
  5  90454.7000000              0.00002656       
  6  32515.9000000              0.00008772       
  7  12610.6000000              0.00026618       
  8   5190.7700000              0.00075622       
  9   2242.3300000              0.00201618       
 10   1011.5300000              0.00501203       
 11    475.5470000              0.01141485       
 12    232.0720000              0.02345426       
 13    116.8740000              0.04173784       
 14     60.3427000              0.05894305       
 15     31.5244000              0.04503419       
 16     16.0308000             -0.04437618       
 17      8.4599200             -0.21875449       
 18      4.5271800             -0.36363043       
 19      2.4185900             -0.15422068       
 20      1.2512900              0.35238152       
 21      0.6434300              0.61412099       
 22      0.3291800              0.30037275       
S   22
  1 28249600.0000000           -0.00000001       
  2 4250190.0000000            -0.00000008       
  3 975014.0000000             -0.00000041       
  4 277446.0000000             -0.00000173       
  5  90454.7000000             -0.00000634       
  6  32515.9000000             -0.00002094       
  7  12610.6000000             -0.00006356       
  8   5190.7700000             -0.00018056       
  9   2242.3300000             -0.00048155       
 10   1011.5300000             -0.00119721       
 11    475.5470000             -0.00272889       
 12    232.0720000             -0.00561187       
 13    116.8740000             -0.01001305       
 14     60.3427000             -0.01419051       
 15     31.5244000             -0.01092170       
 16     16.0308000              0.01086343       
 17      8.4599200              0.05501493       
 18      4.5271800              0.09688214       
 19      2.4185900              0.03947968       
 20      1.2512900             -0.10866983       
 21      0.6434300             -0.22728320       
 22      0.3291800             -0.25708490       
S   1
  1      0.1423900              1.0000000        
S   1
  1      0.0781900              1.0000000        
S   1
  1      0.0376300              1.0000000        
S   1
  1      0.0182900              1.0000000        
P   14
  1 406353.0000000              0.00000023       
  2  13600.7000000              0.00002393       
  3   3235.4700000              0.00021218       
  4   1053.0500000              0.00122733       
  5    403.5690000              0.00545277       
  6    171.4900000              0.01962669       
  7     78.2363000              0.05827993       
  8     37.6065000              0.13955299       
  9     18.7090000              0.25592562       
 10      9.5004100              0.33998132       
 11      4.9055700              0.27304774       
 12      2.5267000              0.09644148       
 13      1.2713900              0.00955231       
 14      0.6260100              0.00067589       
P   14
  1 406353.0000000             -0.00000007       
  2  13600.7000000             -0.00000779       
  3   3235.4700000             -0.00006908       
  4   1053.0500000             -0.00040059       
  5    403.5690000             -0.00178490       
  6    171.4900000             -0.00648320       
  7     78.2363000             -0.01956244       
  8     37.6065000             -0.04824767       
  9     18.7090000             -0.09128611       
 10      9.5004100             -0.12842086       
 11      4.9055700             -0.09952292       
 12      2.5267000              0.09012384       
 13      1.2713900              0.35519880       
 14      0.6260100              0.44448891       
P   14
  1 406353.0000000              0.00000002       
  2  13600.7000000              0.00000162       
  3   3235.4700000              0.00001439       
  4   1053.0500000              0.00008354       
  5    403.5690000              0.00037208       
  6    171.4900000              0.00135333       
  7     78.2363000              0.00408642       
  8     37.6065000              0.01011073       
  9     18.7090000              0.01916725       
 10      9.5004100              0.02716132       
 11      4.9055700              0.02080774       
 12      2.5267000             -0.02308515       
 13      1.2713900             -0.08551094       
 14      0.6260100             -0.11794499       
P   1
  1      0.3009900              1.0000000        
P   1
  1      0.1176900              1.0000000        
P   1
  1      0.0511600              1.0000000        
P   1
  1      0.0214200              1.0000000        
D   4
  1     39.5628000              0.00344600       
  2     11.4373000              0.02136000       
  3      3.9674300              0.07544800       
  4      1.5247800              0.17152800       
D   1
  1      0.5904700              1.0000000        
D   1
  1      0.2191400              1.0000000        
D   1
  1      0.0795700              1.0000000        
D   1
  1      0.0283400              1.0000000        
F   1
  1      0.0860000              1.0000000        
F   1
  1      0.2580000              1.0000000        
F   1
  1      0.7741000              1.0000000        
G   1
  1      0.1012000              1.0000000        
G   1
  1      0.3023000              1.0000000        
H   1
  1      0.2534000              1.0000000        


name: cc-pV5Z
description: V5Z4P Valence Quintuple Zeta + Polarization on All Atoms
elt: Sc
data:
SCANDIUM
S   27
  1      1.194950E+08           6.485949E-08     
  2      2.149920E+07           4.284789E-07     
  3      4.807030E+06           2.485007E-06     
  4      1.284400E+06           1.142200E-05     
  5      3.965950E+05           4.446960E-05     
  6      1.375750E+05           1.513206E-04     
  7      5.236680E+04           4.641311E-04     
  8      2.145490E+04           1.311834E-03     
  9      9.316060E+03           3.474539E-03     
 10      4.235400E+03           8.703081E-03     
 11      1.997440E+03           2.066048E-02     
 12      9.704300E+02           4.605121E-02     
 13      4.832710E+02           9.414403E-02     
 14      2.458060E+02           1.684787E-01     
 15      1.273600E+02           2.427557E-01     
 16      6.707880E+01           2.400019E-01     
 17      3.583710E+01           1.296899E-01     
 18      1.937130E+01           5.179276E-02     
 19      1.055710E+01           8.932598E-02     
 20      5.772490E+00           1.143741E-01     
 21      3.145400E+00           5.378437E-02     
 22      1.692490E+00           7.075763E-03     
 23      8.886490E-01           4.599282E-04     
 24      4.710930E-01          -4.575677E-05     
 25      2.492860E-01           1.697886E-05     
 26      9.998800E-02          -4.762361E-06     
 27      4.636900E-02           1.150180E-05     
S   27
  1      1.194950E+08          -3.759394E-08     
  2      2.149920E+07          -2.483745E-07     
  3      4.807030E+06          -1.440342E-06     
  4      1.284400E+06          -6.621203E-06     
  5      3.965950E+05          -2.577627E-05     
  6      1.375750E+05          -8.773842E-05     
  7      5.236680E+04          -2.691491E-04     
  8      2.145490E+04          -7.615431E-04     
  9      9.316060E+03          -2.020037E-03     
 10      4.235400E+03          -5.080893E-03     
 11      1.997440E+03          -1.215118E-02     
 12      9.704300E+02          -2.752281E-02     
 13      4.832710E+02          -5.797250E-02     
 14      2.458060E+02          -1.101259E-01     
 15      1.273600E+02          -1.781088E-01     
 16      6.707880E+01          -2.198344E-01     
 17      3.583710E+01          -1.529949E-01     
 18      1.937130E+01           5.678122E-02     
 19      1.055710E+01           3.530772E-01     
 20      5.772490E+00           4.663403E-01     
 21      3.145400E+00           2.199163E-01     
 22      1.692490E+00           2.889190E-02     
 23      8.886490E-01           7.763282E-04     
 24      4.710930E-01          -8.474216E-04     
 25      2.492860E-01          -1.233881E-04     
 26      9.998800E-02          -1.245485E-05     
 27      4.636900E-02           3.906270E-05     
S   27
  1      1.194950E+08           7.277775E-09     
  2      2.149920E+07           4.808602E-08     
  3      4.807030E+06           2.788306E-07     
  4      1.284400E+06           1.281931E-06     
  5      3.965950E+05           4.990129E-06     
  6      1.375750E+05           1.699051E-05     
  7      5.236680E+04           5.212700E-05     
  8      2.145490E+04           1.476347E-04     
  9      9.316060E+03           3.921373E-04     
 10      4.235400E+03           9.900468E-04     
 11      1.997440E+03           2.383475E-03     
 12      9.704300E+02           5.475682E-03     
 13      4.832710E+02           1.183105E-02     
 14      2.458060E+02           2.357475E-02     
 15      1.273600E+02           4.140241E-02     
 16      6.707880E+01           5.818726E-02     
 17      3.583710E+01           4.596130E-02     
 18      1.937130E+01          -2.847061E-02     
 19      1.055710E+01          -1.817584E-01     
 20      5.772490E+00          -3.512111E-01     
 21      3.145400E+00          -2.324215E-01     
 22      1.692490E+00           2.277188E-01     
 23      8.886490E-01           5.757256E-01     
 24      4.710930E-01           4.062223E-01     
 25      2.492860E-01           8.525293E-02     
 26      9.998800E-02           3.975498E-03     
 27      4.636900E-02           1.954373E-03     
S   27
  1      1.194950E+08          -1.751768E-09     
  2      2.149920E+07          -1.157503E-08     
  3      4.807030E+06          -6.711375E-08     
  4      1.284400E+06          -3.085845E-07     
  5      3.965950E+05          -1.201088E-06     
  6      1.375750E+05          -4.090037E-06     
  7      5.236680E+04          -1.254629E-05     
  8      2.145490E+04          -3.554102E-05     
  9      9.316060E+03          -9.438160E-05     
 10      4.235400E+03          -2.383648E-04     
 11      1.997440E+03          -5.737202E-04     
 12      9.704300E+02          -1.318746E-03     
 13      4.832710E+02          -2.849209E-03     
 14      2.458060E+02          -5.684235E-03     
 15      1.273600E+02          -9.991445E-03     
 16      6.707880E+01          -1.409713E-02     
 17      3.583710E+01          -1.116554E-02     
 18      1.937130E+01           6.912254E-03     
 19      1.055710E+01           4.558164E-02     
 20      5.772490E+00           9.219903E-02     
 21      3.145400E+00           6.237781E-02     
 22      1.692490E+00          -7.194592E-02     
 23      8.886490E-01          -1.917054E-01     
 24      4.710930E-01          -2.379872E-01     
 25      2.492860E-01          -1.129999E-01     
 26      9.998800E-02           3.424078E-01     
 27      4.636900E-02           6.263064E-01     
S   27
  1      1.194950E+08           3.023751E-09     
  2      2.149920E+07           2.009343E-08     
  3      4.807030E+06           1.156659E-07     
  4      1.284400E+06           5.364214E-07     
  5      3.965950E+05           2.066097E-06     
  6      1.375750E+05           7.126727E-06     
  7      5.236680E+04           2.151877E-05     
  8      2.145490E+04           6.213603E-05     
  9      9.316060E+03           1.612839E-04     
 10      4.235400E+03           4.183292E-04     
 11      1.997440E+03           9.766017E-04     
 12      9.704300E+02           2.324551E-03     
 13      4.832710E+02           4.827024E-03     
 14      2.458060E+02           1.009998E-02     
 15      1.273600E+02           1.673441E-02     
 16      6.707880E+01           2.581961E-02     
 17      3.583710E+01           1.659005E-02     
 18      1.937130E+01          -5.993844E-03     
 19      1.055710E+01          -9.265210E-02     
 20      5.772490E+00          -1.475540E-01     
 21      3.145400E+00          -1.531648E-01     
 22      1.692490E+00           2.278575E-01     
 23      8.886490E-01           3.441065E-01     
 24      4.710930E-01           7.482063E-01     
 25      2.492860E-01          -7.586006E-01     
 26      9.998800E-02          -1.492845E+00     
 27      4.636900E-02           7.089234E-01     
S   27
  1      1.194950E+08          -4.699340E-09     
  2      2.149920E+07          -3.121033E-08     
  3      4.807030E+06          -1.797873E-07     
  4      1.284400E+06          -8.330969E-07     
  5      3.965950E+05          -3.212062E-06     
  6      1.375750E+05          -1.106577E-05     
  7      5.236680E+04          -3.346404E-05     
  8      2.145490E+04          -9.645132E-05     
  9      9.316060E+03          -2.509128E-04     
 10      4.235400E+03          -6.492071E-04     
 11      1.997440E+03          -1.520210E-03     
 12      9.704300E+02          -3.607668E-03     
 13      4.832710E+02          -7.524161E-03     
 14      2.458060E+02          -1.568944E-02     
 15      1.273600E+02          -2.620054E-02     
 16      6.707880E+01          -4.021946E-02     
 17      3.583710E+01          -2.662630E-02     
 18      1.937130E+01           1.032930E-02     
 19      1.055710E+01           1.480576E-01     
 20      5.772490E+00           2.660165E-01     
 21      3.145400E+00           2.494336E-01     
 22      1.692490E+00          -5.406974E-01     
 23      8.886490E-01          -1.045556E+00     
 24      4.710930E-01          -1.827419E-01     
 25      2.492860E-01           2.749406E+00     
 26      9.998800E-02          -1.329988E+00     
 27      4.636900E-02          -1.651389E+00     
S   27
  1      1.194950E+08          -5.382706E-09     
  2      2.149920E+07          -3.464964E-08     
  3      4.807030E+06          -2.077081E-07     
  4      1.284400E+06          -9.176214E-07     
  5      3.965950E+05          -3.749175E-06     
  6      1.375750E+05          -1.202459E-05     
  7      5.236680E+04          -3.967943E-05     
  8      2.145490E+04          -1.028180E-04     
  9      9.316060E+03          -3.033647E-04     
 10      4.235400E+03          -6.770787E-04     
 11      1.997440E+03          -1.876278E-03     
 12      9.704300E+02          -3.671941E-03     
 13      4.832710E+02          -9.536033E-03     
 14      2.458060E+02          -1.530677E-02     
 15      1.273600E+02          -3.545668E-02     
 16      6.707880E+01          -3.294163E-02     
 17      3.583710E+01          -5.839314E-02     
 18      1.937130E+01           6.538662E-02     
 19      1.055710E+01           6.318978E-02     
 20      5.772490E+00           5.906996E-01     
 21      3.145400E+00          -1.332877E-01     
 22      1.692490E+00          -3.017064E-01     
 23      8.886490E-01          -2.969901E+00     
 24      4.710930E-01           4.814088E+00     
 25      2.492860E-01          -8.352144E-01     
 26      9.998800E-02          -4.401836E+00     
 27      4.636900E-02           5.729989E+00     
S   27
  1      1.194950E+08           8.181715E-09     
  2      2.149920E+07           5.531212E-08     
  3      4.807030E+06           3.110133E-07     
  4      1.284400E+06           1.484627E-06     
  5      3.965950E+05           5.517880E-06     
  6      1.375750E+05           1.987947E-05     
  7      5.236680E+04           5.688854E-05     
  8      2.145490E+04           1.752133E-04     
  9      9.316060E+03           4.210802E-04     
 10      4.235400E+03           1.193679E-03     
 11      1.997440E+03           2.520603E-03     
 12      9.704300E+02           6.726648E-03     
 13      4.832710E+02           1.230813E-02     
 14      2.458060E+02           3.008461E-02     
 15      1.273600E+02           4.143790E-02     
 16      6.707880E+01           8.479558E-02     
 17      3.583710E+01           2.415501E-02     
 18      1.937130E+01           2.824664E-02     
 19      1.055710E+01          -4.174669E-01     
 20      5.772490E+00          -5.850258E-01     
 21      3.145400E+00          -4.454488E-01     
 22      1.692490E+00           4.127336E+00     
 23      8.886490E-01          -2.305176E+00     
 24      4.710930E-01          -5.710689E+00     
 25      2.492860E-01           9.548572E+00     
 26      9.998800E-02          -8.563715E+00     
 27      4.636900E-02           6.185611E+00     
S   1
  1      2.160600E-02           1.0000000        
P   19
  1      5.507050E+04           2.000000E-06     
  2      1.374170E+04           2.100000E-05     
  3      4.365400E+03           1.300000E-04     
  4      1.642260E+03           6.120000E-04     
  5      6.940660E+02           2.397000E-03     
  6      3.177420E+02           8.073000E-03     
  7      1.538990E+02           2.372600E-02     
  8      7.776650E+01           6.062000E-02     
  9      4.067360E+01           1.298550E-01     
 10      2.190610E+01           2.210980E-01     
 11      1.207950E+01           2.932320E-01     
 12      6.753490E+00           2.767500E-01     
 13      3.763210E+00           1.477940E-01     
 14      2.049730E+00           3.202400E-02     
 15      1.086450E+00           2.890000E-04     
 16      5.640870E-01          -1.467000E-03     
 17      2.810200E-01          -7.670000E-04     
 18      1.215440E-01          -5.800000E-05     
 19      5.345900E-02          -1.100000E-05     
P   19
  1      5.507050E+04          -1.000000E-06     
  2      1.374170E+04          -7.000000E-06     
  3      4.365400E+03          -4.200000E-05     
  4      1.642260E+03          -2.010000E-04     
  5      6.940660E+02          -7.890000E-04     
  6      3.177420E+02          -2.669000E-03     
  7      1.538990E+02          -7.922000E-03     
  8      7.776650E+01          -2.059800E-02     
  9      4.067360E+01          -4.537500E-02     
 10      2.190610E+01          -7.963200E-02     
 11      1.207950E+01          -1.106180E-01     
 12      6.753490E+00          -1.082040E-01     
 13      3.763210E+00          -9.200000E-04     
 14      2.049730E+00           2.175660E-01     
 15      1.086450E+00           3.921900E-01     
 16      5.640870E-01           3.639770E-01     
 17      2.810200E-01           1.499530E-01     
 18      1.215440E-01           1.514700E-02     
 19      5.345900E-02           5.690000E-04     
P   18
  1      1.374170E+04           2.000000E-06     
  2      4.365400E+03           1.000000E-05     
  3      1.642260E+03           4.900000E-05     
  4      6.940660E+02           1.930000E-04     
  5      3.177420E+02           6.490000E-04     
  6      1.538990E+02           1.942000E-03     
  7      7.776650E+01           5.022000E-03     
  8      4.067360E+01           1.117500E-02     
  9      2.190610E+01           1.947300E-02     
 10      1.207950E+01           2.764700E-02     
 11      6.753490E+00           2.646600E-02     
 12      3.763210E+00          -1.460000E-03     
 13      2.049730E+00          -6.499500E-02     
 14      1.086450E+00          -1.156050E-01     
 15      5.640870E-01          -1.382000E-01     
 16      2.810200E-01           7.281000E-03     
 17      1.215440E-01           3.621410E-01     
 18      5.345900E-02           5.420120E-01     
P   18
  1      1.374170E+04           2.000000E-06     
  2      4.365400E+03           1.200000E-05     
  3      1.642260E+03           5.900000E-05     
  4      6.940660E+02           2.320000E-04     
  5      3.177420E+02           7.880000E-04     
  6      1.538990E+02           2.330000E-03     
  7      7.776650E+01           6.094000E-03     
  8      4.067360E+01           1.337600E-02     
  9      2.190610E+01           2.370100E-02     
 10      1.207950E+01           3.278900E-02     
 11      6.753490E+00           3.290900E-02     
 12      3.763210E+00          -2.231000E-03     
 13      2.049730E+00          -7.361100E-02     
 14      1.086450E+00          -1.369540E-01     
 15      5.640870E-01          -1.677060E-01     
 16      2.810200E-01          -5.268600E-02     
 17      1.215440E-01           5.744330E-01     
 18      5.345900E-02           5.236500E-01     
P   18
  1      1.374170E+04           4.000000E-06     
  2      4.365400E+03           2.700000E-05     
  3      1.642260E+03           1.150000E-04     
  4      6.940660E+02           4.920000E-04     
  5      3.177420E+02           1.527000E-03     
  6      1.538990E+02           4.936000E-03     
  7      7.776650E+01           1.174700E-02     
  8      4.067360E+01           2.860300E-02     
  9      2.190610E+01           4.436000E-02     
 10      1.207950E+01           7.619200E-02     
 11      6.753490E+00           5.760600E-02     
 12      3.763210E+00           2.398700E-02     
 13      2.049730E+00          -2.155680E-01     
 14      1.086450E+00          -3.753780E-01     
 15      5.640870E-01          -4.369340E-01     
 16      2.810200E-01           1.222472E+00     
 17      1.215440E-01           4.294290E-01     
 18      5.345900E-02          -9.345890E-01     
P   18
  1      1.374170E+04          -6.000000E-06     
  2      4.365400E+03          -2.400000E-05     
  3      1.642260E+03          -1.730000E-04     
  4      6.940660E+02          -4.550000E-04     
  5      3.177420E+02          -2.275000E-03     
  6      1.538990E+02          -4.543000E-03     
  7      7.776650E+01          -1.774200E-02     
  8      4.067360E+01          -2.427100E-02     
  9      2.190610E+01          -7.561100E-02     
 10      1.207950E+01          -4.487900E-02     
 11      6.753490E+00          -1.899630E-01     
 12      3.763210E+00           1.273510E-01     
 13      2.049730E+00           1.161170E-01     
 14      1.086450E+00           1.348698E+00     
 15      5.640870E-01          -1.512311E+00     
 16      2.810200E-01          -9.436110E-01     
 17      1.215440E-01           2.307450E+00     
 18      5.345900E-02          -1.217237E+00     
P   19
  1      5.507050E+04          -1.000000E-06     
  2      1.374170E+04          -7.000000E-06     
  3      4.365400E+03          -4.300000E-05     
  4      1.642260E+03          -2.170000E-04     
  5      6.940660E+02          -8.070000E-04     
  6      3.177420E+02          -2.887000E-03     
  7      1.538990E+02          -8.161000E-03     
  8      7.776650E+01          -2.271300E-02     
  9      4.067360E+01          -4.739600E-02     
 10      2.190610E+01          -8.968000E-02     
 11      1.207950E+01          -1.077940E-01     
 12      6.753490E+00          -1.913740E-01     
 13      3.763210E+00           3.672400E-02     
 14      2.049730E+00           1.201016E+00     
 15      1.086450E+00           3.399550E-01     
 16      5.640870E-01          -3.802289E+00     
 17      2.810200E-01           4.448876E+00     
 18      1.215440E-01          -2.513096E+00     
 19      5.345900E-02           4.021440E-01     
P   1
  1      2.321500E-02           1.0000000        
D   11
  1      2.056060E+02           2.380000E-04     
  2      6.102270E+01           2.167000E-03     
  3      2.336300E+01           1.084900E-02     
  4      9.963460E+00           3.588100E-02     
  5      4.489450E+00           9.349100E-02     
  6      2.117950E+00           1.810760E-01     
  7      1.012018E+00           2.575930E-01     
  8      4.810450E-01           2.918550E-01     
  9      2.264880E-01           2.690060E-01     
 10      1.050570E-01           1.881740E-01     
 11      4.768200E-02           7.324300E-02     
D   11
  1      2.056060E+02          -2.430000E-04     
  2      6.102270E+01          -2.214000E-03     
  3      2.336300E+01          -1.110700E-02     
  4      9.963460E+00          -3.697000E-02     
  5      4.489450E+00          -9.781500E-02     
  6      2.117950E+00          -1.845670E-01     
  7      1.012018E+00          -2.472790E-01     
  8      4.810450E-01          -2.053770E-01     
  9      2.264880E-01           1.036720E-01     
 10      1.050570E-01           4.618980E-01     
 11      4.768200E-02           3.834000E-01     
D   11
  1      2.056060E+02          -3.220000E-04     
  2      6.102270E+01          -2.876000E-03     
  3      2.336300E+01          -1.481800E-02     
  4      9.963460E+00          -4.843800E-02     
  5      4.489450E+00          -1.307580E-01     
  6      2.117950E+00          -2.428420E-01     
  7      1.012018E+00          -2.844310E-01     
  8      4.810450E-01           1.037260E-01     
  9      2.264880E-01           7.430280E-01     
 10      1.050570E-01           9.533700E-02     
 11      4.768200E-02          -6.651170E-01     
D   11
  1      2.056060E+02          -4.530000E-04     
  2      6.102270E+01          -3.796000E-03     
  3      2.336300E+01          -2.077300E-02     
  4      9.963460E+00          -6.544600E-02     
  5      4.489450E+00          -1.943420E-01     
  6      2.117950E+00          -3.147140E-01     
  7      1.012018E+00          -2.516280E-01     
  8      4.810450E-01           1.085315E+00     
  9      2.264880E-01          -1.291800E-02     
 10      1.050570E-01          -1.243783E+00     
 11      4.768200E-02           7.723990E-01     
D   11
  1      2.056060E+02          -5.240000E-04     
  2      6.102270E+01          -6.793000E-03     
  3      2.336300E+01          -2.631900E-02     
  4      9.963460E+00          -1.219320E-01     
  5      4.489450E+00          -2.498200E-01     
  6      2.117950E+00          -6.181690E-01     
  7      1.012018E+00           9.989180E-01     
  8      4.810450E-01           5.962450E-01     
  9      2.264880E-01          -2.138243E+00     
 10      1.050570E-01           1.973082E+00     
 11      4.768200E-02          -6.527370E-01     
D   1
  1      2.066000E-02           1.0000000        
F   1
  1      2.340000E+00           1.0000000        
F   1
  1      7.657000E-01           1.0000000        
F   1
  1      2.505000E-01           1.0000000        
F   1
  1      8.200000E-02           1.0000000        
G   1
  1      1.727200E+00           1.0000000        
G   1
  1      5.445000E-01           1.0000000        
G   1
  1      1.717000E-01           1.0000000        
H   1
  1      1.159200E+00           1.0000000        
H   1
  1      3.308000E-01           1.0000000        
I   1
  1      5.720000E-01           1.0000000        


name: cc-pV5Z
description: V5Z4P Valence Quintuple Zeta + Polarization on All Atoms
elt: Ti
data:
TITANIUM
S   27
  1      1.22647E+08            7.095361E-08     
  2      2.19562E+07            4.715986E-07     
  3      4.90233E+06            2.73436E-06      
  4      1.31060E+06            1.254715E-05     
  5 405228.0000000              4.87474E-05      
  6 140757.0000000              0.0001656213     
  7  53625.1000000              0.000507645      
  8  21976.2000000              0.001435019      
  9   9539.6000000              0.003802412      
 10   4334.3700000              0.009523779      
 11   2042.8900000              0.02256875       
 12    992.3080000              0.05005125       
 13    494.4460000              0.1012414        
 14    251.9070000              0.1777644        
 15    130.9050000              0.2479159        
 16     69.2368000              0.2326747        
 17     37.1847000              0.1178873        
 18     20.2157000              0.05105946       
 19     11.0765000              0.0930772        
 20      6.0786700              0.1086846        
 21      3.3127700              0.04564404       
 22      1.7725000              0.005168047      
 23      0.9173780              0.0003233996     
 24      0.4692830             -4.994148E-05     
 25      0.2192670              1.32042E-05      
 26      0.1058110             -2.323768E-07     
 27      0.0484430              1.693377E-05     
S   27
  1      1.22647E+08           -4.075872E-08     
  2      2.19562E+07           -2.709226E-07     
  3      4.90233E+06           -1.570715E-06     
  4      1.31060E+06           -7.208331E-06     
  5 405228.0000000             -2.800379E-05     
  6 140757.0000000             -9.517165E-05     
  7  53625.1000000             -0.000291772      
  8  21976.2000000             -0.0008256845     
  9   9539.6000000             -0.002191592      
 10   4334.3700000             -0.005513608      
 11   2042.8900000             -0.01317331       
 12    992.3080000             -0.02972775       
 13    494.4460000             -0.06213528       
 14    251.9070000             -0.1164183        
 15    130.9050000             -0.1841156        
 16     69.2368000             -0.2185094        
 17     37.1847000             -0.1380868        
 18     20.2157000              0.08418941       
 19     11.0765000              0.3811652        
 20      6.0786700              0.4556996        
 21      3.3127700              0.1917966        
 22      1.7725000              0.02151962       
 23      0.9173780              0.0001959175     
 24      0.4692830             -0.0008089156     
 25      0.2192670             -5.422205E-05     
 26      0.1058110              1.652837E-05     
 27      0.0484430              6.140255E-05     
S   27
  1      1.22647E+08            8.126533E-09     
  2      2.19562E+07            5.402507E-08     
  3      4.90233E+06            3.131603E-07     
  4      1.31060E+06            1.437508E-06     
  5 405228.0000000              5.583328E-06     
  6 140757.0000000              1.898417E-05     
  7  53625.1000000              5.819596E-05     
  8  21976.2000000              0.0001649019     
  9   9539.6000000              0.0004381911     
 10   4334.3700000              0.001107231      
 11   2042.8900000              0.002663108      
 12    992.3080000              0.006103966      
 13    494.4460000              0.01310044       
 14    251.9070000              0.02583473       
 15    130.9050000              0.04449334       
 16     69.2368000              0.06033054       
 17     37.1847000              0.04260364       
 18     20.2157000             -0.04039406       
 19     11.0765000             -0.2075689        
 20      6.0786700             -0.3654648        
 21      3.3127700             -0.1936936        
 22      1.7725000              0.2988342        
 23      0.9173780              0.6067712        
 24      0.4692830              0.3552150        
 25      0.2192670              0.04285188       
 26      0.1058110             -0.000483546      
 27      0.0484430              0.002744033      
S   27
  1      1.22647E+08           -1.917924E-09     
  2      2.19562E+07           -1.275194E-08     
  3      4.90233E+06           -7.390566E-08     
  4      1.31060E+06           -3.393166E-07     
  5 405228.0000000             -1.317608E-06     
  6 140757.0000000             -4.481371E-06     
  7  53625.1000000             -1.373284E-05     
  8  21976.2000000             -3.892998E-05     
  9   9539.6000000             -0.0001033977     
 10   4334.3700000             -0.0002614367     
 11   2042.8900000             -0.0006284415     
 12    992.3080000             -0.001441853      
 13    494.4460000             -0.003093015      
 14    251.9070000             -0.006111397      
 15    130.9050000             -0.01052833       
 16     69.2368000             -0.01435524       
 17     37.1847000             -0.01013538       
 18     20.2157000              0.009606909      
 19     11.0765000              0.05144379       
 20      6.0786700              0.09453862       
 21      3.3127700              0.05074349       
 22      1.7725000             -0.09206241       
 23      0.9173780             -0.2088530        
 24      0.4692830             -0.2397326        
 25      0.2192670             -0.06020934       
 26      0.1058110              0.3785445        
 27      0.0484430              0.6064633        
S   27
  1      1.22647E+08            3.549931E-09     
  2      2.19562E+07            2.360021E-08     
  3      4.90233E+06            1.36798E-07      
  4      1.31060E+06            6.279605E-07     
  5 405228.0000000              2.438963E-06     
  6 140757.0000000              8.293127E-06     
  7  53625.1000000              2.542185E-05     
  8  21976.2000000              7.203924E-05     
  9   9539.6000000              0.0001914264     
 10   4334.3700000              0.0004837789     
 11   2042.8900000              0.001163735      
 12    992.3080000              0.002668623      
 13    494.4460000              0.005731308      
 14    251.9070000              0.0113213        
 15    130.9050000              0.01955315       
 16     69.2368000              0.02667333       
 17     37.1847000              0.01900155       
 18     20.2157000             -0.01799341       
 19     11.0765000             -0.09813293       
 20      6.0786700             -0.1886658        
 21      3.3127700             -0.09633798       
 22      1.7725000              0.2275436        
 23      0.9173780              0.5716640        
 24      0.4692830              0.3842511        
 25      0.2192670             -0.9402894        
 26      0.1058110             -1.1052390        
 27      0.0484430              0.7263152        
S   27
  1      1.22647E+08           -5.483292E-09     
  2      2.19562E+07           -3.632168E-08     
  3      4.90233E+06           -2.115133E-07     
  4      1.31060E+06           -9.655732E-07     
  5 405228.0000000             -3.775667E-06     
  6 140757.0000000             -1.273208E-05     
  7  53625.1000000             -3.942849E-05     
  8  21976.2000000             -0.0001103639     
  9   9539.6000000             -0.0002976        
 10   4334.3700000             -0.0007394247     
 11   2042.8900000             -0.001814232      
 12    992.3080000             -0.004069364      
 13    494.4460000             -0.008975097      
 14    251.9070000             -0.01720642       
 15    130.9050000             -0.03100851       
 16     69.2368000             -0.03994524       
 17     37.1847000             -0.03317775       
 18     20.2157000              0.0350855        
 19     11.0765000              0.1472194        
 20      6.0786700              0.3566400        
 21      3.3127700              0.1090647        
 22      1.7725000             -0.5756267        
 23      0.9173780             -1.4038450        
 24      0.4692830              1.2015530        
 25      0.2192670              2.1637410        
 26      0.1058110             -2.2383990        
 27      0.0484430             -0.8108372        
S   27
  1      1.22647E+08           -6.513149E-09     
  2      2.19562E+07           -4.297168E-08     
  3      4.90233E+06           -2.514831E-07     
  4      1.31060E+06           -1.141345E-06     
  5 405228.0000000             -4.494753E-06     
  6 140757.0000000             -1.502517E-05     
  7  53625.1000000             -4.703008E-05     
  8  21976.2000000             -0.0001299433     
  9   9539.6000000             -0.0003558767     
 10   4334.3700000             -0.0008684153     
 11   2042.8900000             -0.00217575       
 12    992.3080000             -0.004767576      
 13    494.4460000             -0.01081297       
 14    251.9070000             -0.02009361       
 15    130.9050000             -0.03788017       
 16     69.2368000             -0.04603327       
 17     37.1847000             -0.04444843       
 18     20.2157000              0.04721242       
 19     11.0765000              0.1834186        
 20      6.0786700              0.5520638        
 21      3.3127700             -0.04585806       
 22      1.7725000             -1.2472690        
 23      0.9173780             -1.4783690        
 24      0.4692830              4.8207520        
 25      0.2192670             -3.0078810        
 26      0.1058110             -1.8911150        
 27      0.0484430              4.3764350        
S   27
  1      1.22647E+08           -8.931375E-09     
  2      2.19562E+07           -6.25768E-08      
  3      4.90233E+06           -3.389705E-07     
  4      1.31060E+06           -1.686299E-06     
  5 405228.0000000             -5.932742E-06     
  6 140757.0000000             -2.274958E-05     
  7  53625.1000000             -6.006257E-05     
  8  21976.2000000             -0.0002033896     
  9   9539.6000000             -0.0004358911     
 10   4334.3700000             -0.001410248      
 11   2042.8900000             -0.00254425       
 12    992.3080000             -0.008077296      
 13    494.4460000             -0.01186207       
 14    251.9070000             -0.03676473       
 15    130.9050000             -0.03464619       
 16     69.2368000             -0.1101500        
 17     37.1847000              0.02928617       
 18     20.2157000             -0.1149519        
 19     11.0765000              0.6808841        
 20      6.0786700              0.3239576        
 21      3.3127700              0.5267715        
 22      1.7725000             -5.3925940        
 23      0.9173780              6.7665820        
 24      0.4692830             -1.1926540        
 25      0.2192670             -5.8409860        
 26      0.1058110              8.5792050        
 27      0.0484430             -6.4382430        
S   1
  1      0.0225350              1.0000000        
P   19
  1  59284.9000000              0.0000030        
  2  14323.6000000              0.0000230        
  3   4537.2200000              0.0001440        
  4   1726.5400000              0.0006600        
  5    741.0750000              0.0025090        
  6    343.8070000              0.0082940        
  7    167.8840000              0.0242470        
  8     85.0394000              0.0622310        
  9     44.3829000              0.1342200        
 10     23.7928000              0.2290500        
 11     13.0536000              0.3003980        
 12      7.2687200              0.2722610        
 13      4.0380500              0.1350820        
 14      2.1929400              0.0260290        
 15      1.1616200             -0.0003040        
 16      0.6032500             -0.0014340        
 17      0.3001740             -0.0006540        
 18      0.1302640             -0.0000400        
 19      0.0572980             -0.0000100        
P   19
  1  59284.9000000             -0.0000010        
  2  14323.6000000             -0.0000080        
  3   4537.2200000             -0.0000480        
  4   1726.5400000             -0.0002210        
  5    741.0750000             -0.0008440        
  6    343.8070000             -0.0028020        
  7    167.8840000             -0.0082780        
  8     85.0394000             -0.0216350        
  9     44.3829000             -0.0480470        
 10     23.7928000             -0.0846650        
 11     13.0536000             -0.1167480        
 12      7.2687200             -0.1071290        
 13      4.0380500              0.0190880        
 14      2.1929400              0.2461940        
 15      1.1616200              0.4013780        
 16      0.6032500              0.3415650        
 17      0.3001740              0.1268890        
 18      0.1302640              0.0113200        
 19      0.0572980              0.0006740        
P   18
  1  14323.6000000              0.0000020        
  2   4537.2200000              0.0000120        
  3   1726.5400000              0.0000530        
  4    741.0750000              0.0002030        
  5    343.8070000              0.0006700        
  6    167.8840000              0.0019960        
  7     85.0394000              0.0051890        
  8     44.3829000              0.0116400        
  9     23.7928000              0.0203750        
 10     13.0536000              0.0287140        
 11      7.2687200              0.0257260        
 12      4.0380500             -0.0066880        
 13      2.1929400             -0.0719850        
 14      1.1616200             -0.1184150        
 15      0.6032500             -0.1300000        
 16      0.3001740              0.0307110        
 17      0.1302640              0.3791430        
 18      0.0572980              0.5276150        
P   18
  1  14323.6000000              0.0000020        
  2   4537.2200000              0.0000140        
  3   1726.5400000              0.0000660        
  4    741.0750000              0.0002520        
  5    343.8070000              0.0008330        
  6    167.8840000              0.0024740        
  7     85.0394000              0.0064430        
  8     44.3829000              0.0144110        
  9     23.7928000              0.0253150        
 10     13.0536000              0.0354780        
 11      7.2687200              0.0321850        
 12      4.0380500             -0.0077320        
 13      2.1929400             -0.0869160        
 14      1.1616200             -0.1425800        
 15      0.6032500             -0.1704350        
 16      0.3001740              0.0067360        
 17      0.1302640              0.5966850        
 18      0.0572980              0.4753380        
P   19
  1  59284.9000000              0.0000010        
  2  14323.6000000              0.0000040        
  3   4537.2200000              0.0000300        
  4   1726.5400000              0.0001260        
  5    741.0750000              0.0005190        
  6    343.8070000              0.0016020        
  7    167.8840000              0.0050910        
  8     85.0394000              0.0123720        
  9     44.3829000              0.0298140        
 10     23.7928000              0.0477590        
 11     13.0536000              0.0782150        
 12      7.2687200              0.0582600        
 13      4.0380500              0.0051280        
 14      2.1929400             -0.2393170        
 15      1.1616200             -0.3989020        
 16      0.6032500             -0.3113740        
 17      0.3001740              1.2502300        
 18      0.1302640              0.2790480        
 19      0.0572980             -0.8988870        
P   19
  1  59284.9000000             -0.0000010        
  2  14323.6000000             -0.0000070        
  3   4537.2200000             -0.0000300        
  4   1726.5400000             -0.0001900        
  5    741.0750000             -0.0005300        
  6    343.8070000             -0.0023950        
  7    167.8840000             -0.0052020        
  8     85.0394000             -0.0185070        
  9     44.3829000             -0.0291190        
 10     23.7928000             -0.0778450        
 11     13.0536000             -0.0607780        
 12      7.2687200             -0.1826750        
 13      4.0380500              0.1166390        
 14      2.1929400              0.2993610        
 15      1.1616200              1.2320890        
 16      0.6032500             -1.8942480        
 17      0.3001740             -0.3673190        
 18      0.1302640              2.0107700        
 19      0.0572980             -1.1868670        
P   19
  1  59284.9000000             -0.0000010        
  2  14323.6000000             -0.0000080        
  3   4537.2200000             -0.0000510        
  4   1726.5400000             -0.0002160        
  5    741.0750000             -0.0008980        
  6    343.8070000             -0.0027390        
  7    167.8840000             -0.0088510        
  8     85.0394000             -0.0213880        
  9     44.3829000             -0.0525740        
 10     23.7928000             -0.0825050        
 11     13.0536000             -0.1344340        
 12      7.2687200             -0.1828100        
 13      4.0380500              0.0962330        
 14      2.1929400              1.4455690        
 15      1.1616200             -0.5030230        
 16      0.6032500             -2.9722360        
 17      0.3001740              4.2730430        
 18      0.1302640             -2.8303710        
 19      0.0572980              0.7500080        
P   1
  1      0.0249520              1.0000000        
D   11
  1    249.3560000              0.0002310        
  2     74.7483000              0.0020800        
  3     28.9399000              0.0105420        
  4     12.5279000              0.0353670        
  5      5.7343100              0.0926070        
  6      2.7453100              0.1831320        
  7      1.3321200              0.2650160        
  8      0.6410880              0.3000210        
  9      0.3027810              0.2673900        
 10      0.1390530              0.1713110        
 11      0.0620290              0.0589290        
D   11
  1    249.3560000             -0.0002340        
  2     74.7483000             -0.0021150        
  3     28.9399000             -0.0107420        
  4     12.5279000             -0.0363340        
  5      5.7343100             -0.0971000        
  6      2.7453100             -0.1877290        
  7      1.3321200             -0.2464470        
  8      0.6410880             -0.1829140        
  9      0.3027810              0.1364430        
 10      0.1390530              0.4735860        
 11      0.0620290              0.3669010        
D   11
  1    249.3560000             -0.0003770        
  2     74.7483000             -0.0033820        
  3     28.9399000             -0.0174880        
  4     12.5279000             -0.0595610        
  5      5.7343100             -0.1639910        
  6      2.7453100             -0.2958230        
  7      1.3321200             -0.2674980        
  8      0.6410880              0.2425250        
  9      0.3027810              0.7002880        
 10      0.1390530             -0.0562280        
 11      0.0620290             -0.5893560        
D   11
  1    249.3560000             -0.0004520        
  2     74.7483000             -0.0038430        
  3     28.9399000             -0.0209800        
  4     12.5279000             -0.0691410        
  5      5.7343100             -0.2118930        
  6      2.7453100             -0.3288390        
  7      1.3321200             -0.0835100        
  8      0.6410880              1.0396670        
  9      0.3027810             -0.2452340        
 10      0.1390530             -1.0656140        
 11      0.0620290              0.7625840        
D   11
  1    249.3560000             -0.0005630        
  2     74.7483000             -0.0065570        
  3     28.9399000             -0.0280350        
  4     12.5279000             -0.1243040        
  5      5.7343100             -0.2980530        
  6      2.7453100             -0.5085580        
  7      1.3321200              1.0461210        
  8      0.6410880              0.3615210        
  9      0.3027810             -1.8823220        
 10      0.1390530              1.7474600        
 11      0.0620290             -0.4512010        
D   1
  1      0.02643956             1.0000000        
F   1
  1      3.5438000              1.0000000        
F   1
  1      1.1759000              1.0000000        
F   1
  1      0.3902000              1.0000000        
F   1
  1      0.1295000              1.0000000        
G   1
  1      2.5611000              1.0000000        
G   1
  1      0.8111000              1.0000000        
G   1
  1      0.2569000              1.0000000        
H   1
  1      1.8257000              1.0000000        
H   1
  1      0.5103000              1.0000000        
I   1
  1      1.0105000              1.0000000        


name: cc-pV5Z
description: V5Z4P Valence Quintuple Zeta + Polarization on All Atoms
elt: V
data:
VANADIUM
S   27
  1      1.28349E+08            7.559082E-08     
  2      2.29044E+07            5.044461E-07     
  3      5.10777E+06            2.926152E-06     
  4      1.36528E+06            1.342415E-05     
  5 422228.0000000              5.213143E-05     
  6 146685.0000000              0.0001771205     
  7  55872.3000000              0.0005432404     
  8  22881.3000000              0.001537734      
  9   9920.4500000              0.004081932      
 10   4499.9200000              0.01024296       
 11   2116.7500000              0.02429719       
 12   1026.0600000              0.05382741       
 13    510.2570000              0.1083046        
 14    259.5320000              0.1877510        
 15    134.7090000              0.2548794        
 16     71.2104000              0.2275392        
 17     38.2496000              0.1075294        
 18     20.8102000              0.05099967       
 19     11.4158000              0.09479662       
 20      6.2730200              0.09804244       
 21      3.4217700              0.03562689       
 22      1.8304400              0.003443702      
 23      0.9452350              0.0002031152     
 24      0.4759280             -4.464829E-05     
 25      0.1863810              6.908941E-06     
 26      0.1067680              7.077376E-06     
 27      0.0499790              1.99325E-05      
S   27
  1      1.28349E+08           -4.233311E-08     
  2      2.29044E+07           -2.825169E-07     
  3      5.10777E+06           -1.638725E-06     
  4      1.36528E+06           -7.518519E-06     
  5 422228.0000000             -2.919695E-05     
  6 146685.0000000             -9.922464E-05     
  7  55872.3000000             -0.0003044176     
  8  22881.3000000             -0.0008626493     
  9   9920.4500000             -0.002294364      
 10   4499.9200000             -0.005784361      
 11   2116.7500000             -0.01384521       
 12   1026.0600000             -0.03125257       
 13    510.2570000             -0.06517593       
 14    259.5320000             -0.1212452        
 15    134.7090000             -0.1887922        
 16     71.2104000             -0.2160891        
 17     38.2496000             -0.1207730        
 18     20.8102000              0.1189207        
 19     11.4158000              0.4145044        
 20      6.2730200              0.4365960        
 21      3.4217700              0.1587686        
 22      1.8304400              0.01503861       
 23      0.9452350             -0.000313797      
 24      0.4759280             -0.0007231998     
 25      0.1863810             -5.19245E-05      
 26      0.1067680              6.46642E-05      
 27      0.0499790              7.544843E-05     
S   27
  1      1.28349E+08            8.764631E-09     
  2      2.29044E+07            5.850453E-08     
  3      5.10777E+06            3.392632E-07     
  4      1.36528E+06            1.557075E-06     
  5 422228.0000000              6.044595E-06     
  6 146685.0000000              2.055506E-05     
  7  55872.3000000              6.304706E-05     
  8  22881.3000000              0.0001789327     
  9   9920.4500000              0.0004763534     
 10   4499.9200000              0.001206681      
 11   2116.7500000              0.00290738       
 12   1026.0600000              0.006671537      
 13    510.2570000              0.01429445       
 14    259.5320000              0.02805248       
 15    134.7090000              0.04764851       
 16     71.2104000              0.0623929        
 17     38.2496000              0.0381530        
 18     20.8102000             -0.05632949       
 19     11.4158000             -0.2394515        
 20      6.2730200             -0.3730611        
 21      3.4217700             -0.1378359        
 22      1.8304400              0.3654197        
 23      0.9452350              0.6074602        
 24      0.4759280              0.3015966        
 25      0.1863810              0.02613175       
 26      0.1067680             -0.004555459      
 27      0.0499790              0.003357216      
S   27
  1      1.28349E+08           -2.028614E-09     
  2      2.29044E+07           -1.354229E-08     
  3      5.10777E+06           -7.852223E-08     
  4      1.36528E+06           -3.604305E-07     
  5 422228.0000000             -1.398979E-06     
  6 146685.0000000             -4.758252E-06     
  7  55872.3000000             -1.459127E-05     
  8  22881.3000000             -4.142355E-05     
  9   9920.4500000             -0.0001102431     
 10   4499.9200000             -0.0002793901     
 11   2116.7500000             -0.0006729388     
 12   1026.0600000             -0.001545358      
 13    510.2570000             -0.003310669      
 14    259.5320000             -0.006508065      
 15    134.7090000             -0.01106511       
 16     71.2104000             -0.01456548       
 17     38.2496000             -0.008920511      
 18     20.8102000              0.01323718       
 19     11.4158000              0.05853341       
 20      6.2730200              0.09535172       
 21      3.4217700              0.03433249       
 22      1.8304400             -0.1099505        
 23      0.9452350             -0.2173991        
 24      0.4759280             -0.2237757        
 25      0.1863810             -0.01020157       
 26      0.1067680              0.4012464        
 27      0.0499790              0.5727820        
S   27
  1      1.28349E+08           -3.919381E-09     
  2      2.29044E+07           -2.603331E-08     
  3      5.10777E+06           -1.519192E-07     
  4      1.36528E+06           -6.920024E-07     
  5 422228.0000000             -2.711224E-06     
  6 146685.0000000             -9.115965E-06     
  7  55872.3000000             -2.835051E-05     
  8  22881.3000000             -7.912836E-05     
  9   9920.4500000             -0.0002148784     
 10   4499.9200000             -0.000531965      
 11   2116.7500000             -0.001316357      
 12   1026.0600000             -0.002931813      
 13    510.2570000             -0.006511894      
 14    259.5320000             -0.01226756       
 15    134.7090000             -0.02210677       
 16     71.2104000             -0.02664568       
 17     38.2496000             -0.02085328       
 18     20.8102000              0.03285405       
 19     11.4158000              0.1037039        
 20      6.2730200              0.2240209        
 21      3.4217700              0.02243918       
 22      1.8304400             -0.2269588        
 23      0.9452350             -0.7256302        
 24      0.4759280             -0.02136386       
 25      0.1863810              1.2267190        
 26      0.1067680              0.5355637        
 27      0.0499790             -0.6820891        
S   27
  1      1.28349E+08           -6.06916E-09      
  2      2.29044E+07           -4.016055E-08     
  3      5.10777E+06           -2.354898E-07     
  4      1.36528E+06           -1.066503E-06     
  5 422228.0000000             -4.207968E-06     
  6 146685.0000000             -1.402663E-05     
  7  55872.3000000             -4.408568E-05     
  8  22881.3000000             -0.0001214852     
  9   9920.4500000             -0.0003349349     
 10   4499.9200000             -0.0008147638     
 11   2116.7500000             -0.002057575      
 12   1026.0600000             -0.004479489      
 13    510.2570000             -0.0102264        
 14    259.5320000             -0.01867514       
 15    134.7090000             -0.03518784       
 16     71.2104000             -0.03981114       
 17     38.2496000             -0.03673509       
 18     20.8102000              0.05969102       
 19     11.4158000              0.1588361        
 20      6.2730200              0.4222280        
 21      3.4217700             -0.03835624       
 22      1.8304400             -0.6567155        
 23      0.9452350             -1.4574620        
 24      0.4759280              2.0698680        
 25      0.1863810              1.6542810        
 26      0.1067680             -2.8048020        
 27      0.0499790             -0.1989010        
S   27
  1      1.28349E+08           -7.37951E-09      
  2      2.29044E+07           -4.984396E-08     
  3      5.10777E+06           -2.846693E-07     
  4      1.36528E+06           -1.330646E-06     
  5 422228.0000000             -5.051098E-06     
  6 146685.0000000             -1.765499E-05     
  7  55872.3000000             -5.23595E-05      
  8  22881.3000000             -0.0001547542     
  9   9920.4500000             -0.0003926928     
 10   4499.9200000             -0.001052087      
 11   2116.7500000             -0.002379149      
 12   1026.0600000             -0.005879989      
 13    510.2570000             -0.01160458       
 14    259.5320000             -0.02534133       
 15    134.7090000             -0.03801562       
 16     71.2104000             -0.06218123       
 17     38.2496000             -0.01933881       
 18     20.8102000              0.01617214       
 19     11.4158000              0.3477025        
 20      6.2730200              0.4361287        
 21      3.4217700              0.003649234      
 22      1.8304400             -2.0758320        
 23      0.9452350              0.2889184        
 24      0.4759280              3.5216890        
 25      0.1863810             -4.7346100        
 26      0.1067680              1.2067910        
 27      0.0499790              2.9598040        
S   27
  1      1.28349E+08           -9.582444E-09     
  2      2.29044E+07           -6.716611E-08     
  3      5.10777E+06           -3.657711E-07     
  4      1.36528E+06           -1.808765E-06     
  5 422228.0000000             -6.406617E-06     
  6 146685.0000000             -2.43535E-05      
  7  55872.3000000             -6.507095E-05     
  8  22881.3000000             -0.0002176891     
  9   9920.4500000             -0.0004756448     
 10   4499.9200000             -0.001511976      
 11   2116.7500000             -0.002801195      
 12   1026.0600000             -0.008666197      
 13    510.2570000             -0.01312669       
 14    259.5320000             -0.03917805       
 15    134.7090000             -0.03801547       
 16     71.2104000             -0.1132696        
 17     38.2496000              0.03595954       
 18     20.8102000             -0.09739948       
 19     11.4158000              0.7821952        
 20      6.2730200              0.3538718        
 21      3.4217700             -0.1355217        
 22      1.8304400             -5.1073220        
 23      0.9452350              8.6829500        
 24      0.4759280             -5.2129400        
 25      0.1863810             -2.3726520        
 26      0.1067680              7.1624990        
 27      0.0499790             -6.2293730        
S   1
  1      0.0235010              1.0000000        
P   19
  1  67602.1000000              0.0000020        
  2  16330.1000000              0.0000220        
  3   5149.5900000              0.0001380        
  4   1950.0300000              0.0006370        
  5    834.4630000              0.0024300        
  6    386.9900000              0.0080290        
  7    189.3720000              0.0234220        
  8     96.2845000              0.0600350        
  9     50.4640000              0.1300820        
 10     27.1483000              0.2246520        
 11     14.9256000              0.2994840        
 12      8.3161700              0.2766330        
 13      4.6208600              0.1402270        
 14      2.5113800              0.0278520        
 15      1.3309100             -0.0001740        
 16      0.6904150             -0.0014710        
 17      0.3432070             -0.0006800        
 18      0.1458960             -0.0000420        
 19      0.0629710             -0.0000080        
P   19
  1  67602.1000000             -0.0000010        
  2  16330.1000000             -0.0000080        
  3   5149.5900000             -0.0000470        
  4   1950.0300000             -0.0002170        
  5    834.4630000             -0.0008310        
  6    386.9900000             -0.0027580        
  7    189.3720000             -0.0081310        
  8     96.2845000             -0.0212250        
  9     50.4640000             -0.0473580        
 10     27.1483000             -0.0845440        
 11     14.9256000             -0.1184370        
 12      8.3161700             -0.1107500        
 13      4.6208600              0.0159240        
 14      2.5113800              0.2455750        
 15      1.3309100              0.4018980        
 16      0.6904150              0.3419350        
 17      0.3432070              0.1291400        
 18      0.1458960              0.0117690        
 19      0.0629710              0.0003810        
P   18
  1  16330.1000000              0.0000020        
  2   5149.5900000              0.0000110        
  3   1950.0300000              0.0000520        
  4    834.4630000              0.0002010        
  5    386.9900000              0.0006630        
  6    189.3720000              0.0019730        
  7     96.2845000              0.0051160        
  8     50.4640000              0.0115520        
  9     27.1483000              0.0204550        
 10     14.9256000              0.0293490        
 11      8.3161700              0.0266940        
 12      4.6208600             -0.0060590        
 13      2.5113800             -0.0735450        
 14      1.3309100             -0.1194360        
 15      0.6904150             -0.1247830        
 16      0.3432070              0.0366050        
 17      0.1458960              0.3728900        
 18      0.0629710              0.5246490        
P   18
  1  16330.1000000              0.0000020        
  2   5149.5900000              0.0000140        
  3   1950.0300000              0.0000650        
  4    834.4630000              0.0002490        
  5    386.9900000              0.0008230        
  6    189.3720000              0.0024380        
  7     96.2845000              0.0063420        
  8     50.4640000              0.0142490        
  9     27.1483000              0.0253700        
 10     14.9256000              0.0361120        
 11      8.3161700              0.0334620        
 12      4.6208600             -0.0068260        
 13      2.5113800             -0.0874620        
 14      1.3309100             -0.1451170        
 15      0.6904150             -0.1669600        
 16      0.3432070              0.0161970        
 17      0.1458960              0.5946810        
 18      0.0629710              0.4728630        
P   19
  1  67602.1000000              0.0000010        
  2  16330.1000000              0.0000040        
  3   5149.5900000              0.0000300        
  4   1950.0300000              0.0001270        
  5    834.4630000              0.0005290        
  6    386.9900000              0.0016100        
  7    189.3720000              0.0051810        
  8     96.2845000              0.0123810        
  9     50.4640000              0.0304960        
 10     27.1483000              0.0485520        
 11     14.9256000              0.0824320        
 12      8.3161700              0.0603700        
 13      4.6208600              0.0101220        
 14      2.5113800             -0.2605390        
 15      1.3309100             -0.3924090        
 16      0.6904150             -0.2954210        
 17      0.3432070              1.2391450        
 18      0.1458960              0.2525760        
 19      0.0629710             -0.8792700        
P   19
  1  67602.1000000             -0.0000010        
  2  16330.1000000             -0.0000070        
  3   5149.5900000             -0.0000320        
  4   1950.0300000             -0.0001930        
  5    834.4630000             -0.0005690        
  6    386.9900000             -0.0024460        
  7    189.3720000             -0.0055640        
  8     96.2845000             -0.0188860        
  9     50.4640000             -0.0315930        
 10     27.1483000             -0.0799160        
 11     14.9256000             -0.0708350        
 12      8.3161700             -0.1822610        
 13      4.6208600              0.1077550        
 14      2.5113800              0.3921670        
 15      1.3309100              1.0894750        
 16      0.6904150             -1.8328780        
 17      0.3432070             -0.2943300        
 18      0.1458960              1.9029040        
 19      0.0629710             -1.1520610        
P   19
  1  67602.1000000             -0.0000010        
  2  16330.1000000             -0.0000070        
  3   5149.5900000             -0.0000540        
  4   1950.0300000             -0.0002100        
  5    834.4630000             -0.0009630        
  6    386.9900000             -0.0026780        
  7    189.3720000             -0.0094690        
  8     96.2845000             -0.0207670        
  9     50.4640000             -0.0568020        
 10     27.1483000             -0.0799800        
 11     14.9256000             -0.1601810        
 12      8.3161700             -0.1677710        
 13      4.6208600              0.0980800        
 14      2.5113800              1.5568150        
 15      1.3309100             -0.8027370        
 16      0.6904150             -2.6228150        
 17      0.3432070              4.0233660        
 18      0.1458960             -2.7546210        
 19      0.0629710              0.8325630        
P   1
  1      0.0269220              1.0000000        
D   11
  1    298.4240000              0.0002180        
  2     88.3665000              0.0020340        
  3     34.0559000              0.0105740        
  4     14.7799000              0.0359550        
  5      6.8290500              0.0935000        
  6      3.3110900              0.1840370        
  7      1.6286100              0.2662670        
  8      0.7933930              0.2995840        
  9      0.3788260              0.2628030        
 10      0.1758620              0.1654210        
 11      0.0788580              0.0580390        
D   11
  1    298.4240000             -0.0002300        
  2     88.3665000             -0.0021540        
  3     34.0559000             -0.0112340        
  4     14.7799000             -0.0385420        
  5      6.8290500             -0.1027740        
  6      3.3110900             -0.1981620        
  7      1.6286100             -0.2518290        
  8      0.7933930             -0.1612270        
  9      0.3788260              0.1595380        
 10      0.1758620              0.4593380        
 11      0.0788580              0.3583680        
D   11
  1    298.4240000             -0.0003590        
  2     88.3665000             -0.0033510        
  3     34.0559000             -0.0177090        
  4     14.7799000             -0.0614840        
  5      6.8290500             -0.1696420        
  6      3.3110900             -0.3066070        
  7      1.6286100             -0.2499830        
  8      0.7933930              0.2824440        
  9      0.3788260              0.6731490        
 10      0.1758620             -0.0785380        
 11      0.0788580             -0.5838200        
D   11
  1    298.4240000             -0.0004750        
  2     88.3665000             -0.0042910        
  3     34.0559000             -0.0235210        
  4     14.7799000             -0.0810930        
  5      6.8290500             -0.2481480        
  6      3.3110900             -0.3730460        
  7      1.6286100              0.0738110        
  8      0.7933930              1.0214190        
  9      0.3788260             -0.4108180        
 10      0.1758620             -0.9139110        
 11      0.0788580              0.7099380        
D   11
  1    298.4240000             -0.0005620        
  2     88.3665000             -0.0062300        
  3     34.0559000             -0.0293400        
  4     14.7799000             -0.1257620        
  5      6.8290500             -0.3358610        
  6      3.3110900             -0.4112650        
  7      1.6286100              1.1230240        
  8      0.7933930              0.0942510        
  9      0.3788260             -1.6935340        
 10      0.1758620              1.6913710        
 11      0.0788580             -0.3887260        
D   1
  1      0.0333820              1.0000000        
F   1
  1      4.6916000              1.0000000        
F   1
  1      1.5791000              1.0000000        
F   1
  1      0.5315000              1.0000000        
F   1
  1      0.1789000              1.0000000        
G   1
  1      3.4195000              1.0000000        
G   1
  1      1.1033000              1.0000000        
G   1
  1      0.3560000              1.0000000        
H   1
  1      2.4609000              1.0000000        
H   1
  1      0.7002000              1.0000000        
I   1
  1      1.5757000              1.0000000        


name: cc-pV5Z
description: V5Z4P Valence Quintuple Zeta + Polarization on All Atoms
elt: Cr
data:
CHROMIUM
S   27
  1      1.35540E+08            7.860909E-08     
  2      2.42404E+07            5.230504E-07     
  3      5.41227E+06            3.030869E-06     
  4      1.44792E+06            1.3889E-05       
  5 448199.0000000              5.386079E-05     
  6 155899.0000000              0.0001826227     
  7  59479.6000000              0.0005586325     
  8  24408.1000000              0.001576299      
  9  10607.0000000              0.004169939      
 10   4823.0800000              0.01042776       
 11   2274.0800000              0.02465857       
 12   1104.5400000              0.0544866        
 13    550.0990000              0.1094152        
 14    280.0100000              0.1893356        
 15    145.3300000              0.2561724        
 16     76.7551000              0.2268474        
 17     41.1594000              0.1055708        
 18     22.3445000              0.05199165       
 19     12.2293000              0.09691052       
 20      6.7077700              0.09468708       
 21      3.6569400              0.03194821       
 22      1.9597800              0.002931469      
 23      1.0175800              0.0002111193     
 24      0.5129130             -1.653905E-05     
 25      0.1947980              4.265747E-06     
 26      0.1109690              1.479579E-05     
 27      0.0521230              2.379865E-05     
S   27
  1      1.35540E+08           -4.393198E-08     
  2      2.42404E+07           -2.923256E-07     
  3      5.41227E+06           -1.693847E-06     
  4      1.44792E+06           -7.762636E-06     
  5 448199.0000000             -3.010309E-05     
  6 155899.0000000             -0.0001020941     
  7  59479.6000000             -0.0003124026     
  8  24408.1000000             -0.0008824782     
  9  10607.0000000             -0.002339258      
 10   4823.0800000             -0.005877709      
 11   2274.0800000             -0.01402849       
 12   1104.5400000             -0.03159558       
 13    550.0990000             -0.06581587       
 14    280.0100000             -0.1223894        
 15    145.3300000             -0.1904926        
 16     76.7551000             -0.2170072        
 17     41.1594000             -0.1173808        
 18     22.3445000              0.1320872        
 19     12.2293000              0.4300999        
 20      6.7077700              0.4273569        
 21      3.6569400              0.1441234        
 22      1.9597800              0.01289772       
 23      1.0175800             -0.0002726576     
 24      0.5129130             -0.0005554224     
 25      0.1947980             -5.978166E-05     
 26      0.1109690              0.0001017909     
 27      0.0521230              9.249085E-05     
S   27
  1      1.35540E+08            9.262175E-09     
  2      2.42404E+07            6.164427E-08     
  3      5.41227E+06            3.570946E-07     
  4      1.44792E+06            1.637074E-06     
  5 448199.0000000              6.346275E-06     
  6 155899.0000000              2.153698E-05     
  7  59479.6000000              6.58856E-05      
  8  24408.1000000              0.0001864046     
  9  10607.0000000              0.0004945862     
 10   4823.0800000              0.001248762      
 11   2274.0800000              0.003000302      
 12   1104.5400000              0.006870641      
 13    550.0990000              0.0147068        
 14    280.0100000              0.02886345       
 15    145.3300000              0.04902786       
 16     76.7551000              0.06391156       
 17     41.1594000              0.03765591       
 18     22.3445000             -0.06346137       
 19     12.2293000             -0.2572992        
 20      6.7077700             -0.3772640        
 21      3.6569400             -0.1060193        
 22      1.9597800              0.3929518        
 23      1.0175800              0.5959745        
 24      0.5129130              0.2812188        
 25      0.1947980              0.02272335       
 26      0.1109690             -0.004227356      
 27      0.0521230              0.003488431      
S   27
  1      1.35540E+08           -2.100265E-09     
  2      2.42404E+07           -1.397942E-08     
  3      5.41227E+06           -8.097196E-08     
  4      1.44792E+06           -3.712563E-07     
  5 448199.0000000             -1.438993E-06     
  6 155899.0000000             -4.884352E-06     
  7  59479.6000000             -1.493879E-05     
  8  24408.1000000             -4.227739E-05     
  9  10607.0000000             -0.0001121405     
 10   4823.0800000             -0.0002832662     
 11   2274.0800000             -0.0006803672     
 12   1104.5400000             -0.001559223      
 13    550.0990000             -0.003337304      
 14    280.0100000             -0.006561113      
 15    145.3300000             -0.01115752       
 16     76.7551000             -0.01462359       
 17     41.1594000             -0.008633298      
 18     22.3445000              0.01464739       
 19     12.2293000              0.06184511       
 20      6.7077700              0.09478115       
 21      3.6569400              0.02513425       
 22      1.9597800             -0.1164814        
 23      1.0175800             -0.2139959        
 24      0.5129130             -0.2099994        
 25      0.1947980              0.01313418       
 26      0.1109690              0.4029770        
 27      0.0521230              0.5574989        
S   27
  1      1.35540E+08           -4.146642E-09     
  2      2.42404E+07           -2.744623E-08     
  3      5.41227E+06           -1.601135E-07     
  4      1.44792E+06           -7.278668E-07     
  5 448199.0000000             -2.850853E-06     
  6 155899.0000000             -9.552888E-06     
  7  59479.6000000             -2.968205E-05     
  8  24408.1000000             -8.241072E-05     
  9  10607.0000000             -0.0002236203     
 10   4823.0800000             -0.0005501076     
 11   2274.0800000             -0.001362231      
 12   1104.5400000             -0.003015736      
 13    550.0990000             -0.006722274      
 14    280.0100000             -0.01259995       
 15    145.3300000             -0.02285648       
 16     76.7551000             -0.02715659       
 17     41.1594000             -0.02113804       
 18     22.3445000              0.03721168       
 19     12.2293000              0.1114359        
 20      6.7077700              0.2314628        
 21      3.6569400             -0.004161973      
 22      1.9597800             -0.2449631        
 23      1.0175800             -0.7360778        
 24      0.5129130              0.07004895       
 25      0.1947980              1.2774030        
 26      0.1109690              0.3956614        
 27      0.0521230             -0.6769812        
S   27
  1      1.35540E+08           -6.488897E-09     
  2      2.42404E+07           -4.279886E-08     
  3      5.41227E+06           -2.507932E-07     
  4      1.44792E+06           -1.134012E-06     
  5 448199.0000000             -4.470662E-06     
  6 155899.0000000             -1.486072E-05     
  7  59479.6000000             -4.663092E-05     
  8  24408.1000000             -0.0001279315     
  9  10607.0000000             -0.0003521084     
 10   4823.0800000             -0.0008520213     
 11   2274.0800000             -0.002150678      
 12   1104.5400000             -0.004660657      
 13    550.0990000             -0.0106598        
 14    280.0100000             -0.01941515       
 15    145.3300000             -0.0367085        
 16     76.7551000             -0.04117897       
 17     41.1594000             -0.03736427       
 18     22.3445000              0.06683735       
 19     12.2293000              0.1763321        
 20      6.7077700              0.4399191        
 21      3.6569400             -0.09880462       
 22      1.9597800             -0.7255668        
 23      1.0175800             -1.3708500        
 24      0.5129130              2.2233550        
 25      0.1947980              1.3085500        
 26      0.1109690             -2.7149080        
 27      0.0521230              0.01730143       
S   27
  1      1.35540E+08           -8.057731E-09     
  2      2.42404E+07           -5.449074E-08     
  3      5.41227E+06           -3.092592E-07     
  4      1.44792E+06           -1.452906E-06     
  5 448199.0000000             -5.46589E-06      
  6 155899.0000000             -1.924479E-05     
  7  59479.6000000             -5.626566E-05     
  8  24408.1000000             -0.0001681395     
  9  10607.0000000             -0.0004180269     
 10   4823.0800000             -0.001138751      
 11   2274.0800000             -0.002509533      
 12   1104.5400000             -0.006353116      
 13    550.0990000             -0.0121576        
 14    280.0100000             -0.0275123        
 15    145.3300000             -0.03944079       
 16     76.7551000             -0.06872967       
 17     41.1594000             -0.01402938       
 18     22.3445000              0.01289964       
 19     12.2293000              0.4202805        
 20      6.7077700              0.4154218        
 21      3.6569400             -0.0960278        
 22      1.9597800             -2.3056310        
 23      1.0175800              1.0185750        
 24      0.5129130              2.8776730        
 25      0.1947980             -4.9333520        
 26      0.1109690              2.0626700        
 27      0.0521230              2.3161840        
S   27
  1      1.35540E+08           -1.001431E-08     
  2      2.42404E+07           -6.926624E-08     
  3      5.41227E+06           -3.815845E-07     
  4      1.44792E+06           -1.858014E-06     
  5 448199.0000000             -6.687E-06        
  6 155899.0000000             -2.484929E-05     
  7  59479.6000000             -6.793021E-05     
  8  24408.1000000             -0.000219938      
  9  10607.0000000             -0.0004963362     
 10   4823.0800000             -0.001510983      
 11   2274.0800000             -0.002926739      
 12   1104.5400000             -0.008574245      
 13    550.0990000             -0.01384885       
 14    280.0100000             -0.03834684       
 15    145.3300000             -0.04190377       
 16     76.7551000             -0.1070907        
 17     41.1594000              0.02132387       
 18     22.3445000             -0.05710773       
 19     12.2293000              0.7753646        
 20      6.7077700              0.4421097        
 21      3.6569400             -0.6606407        
 22      1.9597800             -4.4525940        
 23      1.0175800              8.6920940        
 24      0.5129130             -5.9392790        
 25      0.1947980             -0.8400572        
 26      0.1109690              5.7181160        
 27      0.0521230             -5.7941660        
S   1
  1      0.0244890              1.0000000        
P   19
  1  72029.6000000              0.0000030        
  2  17890.9000000              0.0000220        
  3   5678.2800000              0.0001370        
  4   2138.7500000              0.0006440        
  5    905.8550000              0.0025110        
  6    415.6450000              0.0084470        
  7    201.6950000              0.0248620        
  8    102.0400000              0.0637050        
  9     53.3955000              0.1366080        
 10     28.7570000              0.2321020        
 11     15.8536000              0.3023570        
 12      8.8638500              0.2683220        
 13      4.9433400              0.1288470        
 14      2.6973200              0.0240140        
 15      1.4364300             -0.0002360        
 16      0.7485180             -0.0012910        
 17      0.3733100             -0.0005730        
 18      0.1577120             -0.0000330        
 19      0.0674840             -0.0000070        
P   19
  1  72029.6000000             -0.0000010        
  2  17890.9000000             -0.0000080        
  3   5678.2800000             -0.0000470        
  4   2138.7500000             -0.0002230        
  5    905.8550000             -0.0008720        
  6    415.6450000             -0.0029470        
  7    201.6950000             -0.0087710        
  8    102.0400000             -0.0229140        
  9     53.3955000             -0.0506670        
 10     28.7570000             -0.0891160        
 11     15.8536000             -0.1223120        
 12      8.8638500             -0.1067880        
 13      4.9433400              0.0326180        
 14      2.6973200              0.2616090        
 15      1.4364300              0.4013360        
 16      0.7485180              0.3272510        
 17      0.3733100              0.1195440        
 18      0.1577120              0.0105100        
 19      0.0674840              0.0002930        
P   18
  1  17890.9000000             -0.0000020        
  2   5678.2800000             -0.0000110        
  3   2138.7500000             -0.0000520        
  4    905.8550000             -0.0002070        
  5    415.6450000             -0.0006930        
  6    201.6950000             -0.0020820        
  7    102.0400000             -0.0054050        
  8     53.3955000             -0.0120940        
  9     28.7570000             -0.0210980        
 10     15.8536000             -0.0296980        
 11      8.8638500             -0.0250470        
 12      4.9433400              0.0102820        
 13      2.6973200              0.0768880        
 14      1.4364300              0.1173220        
 15      0.7485180              0.1163280        
 16      0.3733100             -0.0450520        
 17      0.1577120             -0.3724610        
 18      0.0674840             -0.5207620        
P   18
  1  17890.9000000              0.0000020        
  2   5678.2800000              0.0000140        
  3   2138.7500000              0.0000670        
  4    905.8550000              0.0002620        
  5    415.6450000              0.0008810        
  6    201.6950000              0.0026350        
  7    102.0400000              0.0068590        
  8     53.3955000              0.0152810        
  9     28.7570000              0.0268000        
 10     15.8536000              0.0374690        
 11      8.8638500              0.0322580        
 12      4.9433400             -0.0124160        
 13      2.6973200             -0.0943420        
 14      1.4364300             -0.1479450        
 15      0.7485180             -0.1595740        
 16      0.3733100              0.0422640        
 17      0.1577120              0.6008800        
 18      0.0674840              0.4537120        
P   19
  1  72029.6000000              0.0000010        
  2  17890.9000000              0.0000050        
  3   5678.2800000              0.0000310        
  4   2138.7500000              0.0001350        
  5    905.8550000              0.0005720        
  6    415.6450000              0.0017920        
  7    201.6950000              0.0057550        
  8    102.0400000              0.0139210        
  9     53.3955000              0.0336600        
 10     28.7570000              0.0533400        
 11     15.8536000              0.0883240        
 12      8.8638500              0.0606720        
 13      4.9433400             -0.0055130        
 14      2.6973200             -0.2993800        
 15      1.4364300             -0.4021920        
 16      0.7485180             -0.1927060        
 17      0.3733100              1.2394070        
 18      0.1577120              0.1442260        
 19      0.0674840             -0.8307840        
P   19
  1  72029.6000000              0.0000010        
  2  17890.9000000              0.0000070        
  3   5678.2800000              0.0000350        
  4   2138.7500000              0.0002020        
  5    905.8550000              0.0006460        
  6    415.6450000              0.0026650        
  7    201.6950000              0.0064930        
  8    102.0400000              0.0208730        
  9     53.3955000              0.0366920        
 10     28.7570000              0.0863130        
 11     15.8536000              0.0825040        
 12      8.8638500              0.1830400        
 13      4.9433400             -0.1524300        
 14      2.6973200             -0.4989330        
 15      1.4364300             -0.9010930        
 16      0.7485180              1.9311390        
 17      0.3733100             -0.0082870        
 18      0.1577120             -1.7252310        
 19      0.0674840              1.1431100        
P   19
  1  72029.6000000             -0.0000010        
  2  17890.9000000             -0.0000070        
  3   5678.2800000             -0.0000590        
  4   2138.7500000             -0.0002150        
  5    905.8550000             -0.0010750        
  6    415.6450000             -0.0028710        
  7    201.6950000             -0.0108850        
  8    102.0400000             -0.0224070        
  9     53.3955000             -0.0655250        
 10     28.7570000             -0.0817190        
 11     15.8536000             -0.1939850        
 12      8.8638500             -0.1416950        
 13      4.9433400              0.2081580        
 14      2.6973200              1.6488430        
 15      1.4364300             -1.4462180        
 16      0.7485180             -1.8462910        
 17      0.3733100              3.6358120        
 18      0.1577120             -2.7449690        
 19      0.0674840              0.9609530        
P   1
  1      0.0285950              1.0000000        
D   11
  1    384.3240000              0.0001660        
  2    115.6210000              0.0015330        
  3     44.8478000              0.0082730        
  4     19.6129000              0.0296280        
  5      9.1008300              0.0804320        
  6      4.4183200              0.1682550        
  7      2.1828700              0.2573470        
  8      1.0684000              0.3013010        
  9      0.5106240              0.2754300        
 10      0.2351410              0.1820770        
 11      0.1028360              0.0675340        
D   11
  1    384.3240000             -0.0001870        
  2    115.6210000             -0.0017360        
  3     44.8478000             -0.0094250        
  4     19.6129000             -0.0339690        
  5      9.1008300             -0.0949620        
  6      4.4183200             -0.1972130        
  7      2.1828700             -0.2639680        
  8      1.0684000             -0.1771220        
  9      0.5106240              0.1388050        
 10      0.2351410              0.4526330        
 11      0.1028360              0.3742040        
D   11
  1    384.3240000             -0.0002700        
  2    115.6210000             -0.0024910        
  3     44.8478000             -0.0136900        
  4     19.6129000             -0.0497520        
  5      9.1008300             -0.1445960        
  6      4.4183200             -0.2922080        
  7      2.1828700             -0.2774690        
  8      1.0684000              0.2057700        
  9      0.5106240              0.6868800        
 10      0.2351410              0.0068000        
 11      0.1028360             -0.6314930        
D   11
  1    384.3240000             -0.0003980        
  2    115.6210000             -0.0034880        
  3     44.8478000             -0.0202480        
  4     19.6129000             -0.0719540        
  5      9.1008300             -0.2362580        
  6      4.4183200             -0.4094040        
  7      2.1828700              0.0167400        
  8      1.0684000              1.0070320        
  9      0.5106240             -0.2422900        
 10      0.2351410             -1.0046230        
 11      0.1028360              0.6909580        
D   11
  1    384.3240000              0.0004530        
  2    115.6210000              0.0048530        
  3     44.8478000              0.0241550        
  4     19.6129000              0.1054670        
  5      9.1008300              0.3238140        
  6      4.4183200              0.4542210        
  7      2.1828700             -1.0093700        
  8      1.0684000             -0.3428410        
  9      0.5106240              1.8302970        
 10      0.2351410             -1.6316990        
 11      0.1028360              0.3024500        
D   1
  1      0.0414250              1.0000000        
F   1
  1      5.6236000              1.0000000        
F   1
  1      1.9039000              1.0000000        
F   1
  1      0.6445000              1.0000000        
F   1
  1      0.2182000              1.0000000        
G   1
  1      4.1121000              1.0000000        
G   1
  1      1.3325000              1.0000000        
G   1
  1      0.4318000              1.0000000        
H   1
  1      3.0067000              1.0000000        
H   1
  1      0.8770000              1.0000000        
I   1
  1      2.1131000              1.0000000        


name: cc-pV5Z
description: V5Z4P Valence Quintuple Zeta + Polarization on All Atoms
elt: Mn
data:
MANGANESE
S   27
  1      1.37766E+08            8.842975E-08     
  2      2.45640E+07            5.905615E-07     
  3      5.47999E+06            3.42133E-06      
  4      1.46664E+06            1.566036E-05     
  5 454421.0000000              6.063846E-05     
  6 158216.0000000              0.0002053663     
  7  60404.3000000              0.000627818      
  8  24793.6000000              0.001771534      
  9  10772.3000000              0.004687682      
 10   4895.5400000              0.01172341       
 11   2306.5600000              0.02769121       
 12   1119.5600000              0.06096465       
 13    557.3810000              0.1213985        
 14    283.7780000              0.2067236        
 15    147.4360000              0.2716552        
 16     78.0227000              0.2296262        
 17     41.9679000              0.09993531       
 18     22.8778000              0.04335678       
 19     12.5845000              0.07097637       
 20      6.9417000              0.06195771       
 21      3.8062900              0.01878693       
 22      2.0503100              0.001455711      
 23      1.0683800             -5.045613E-05     
 24      0.5366060             -8.380837E-05     
 25      0.1832600             -9.776338E-07     
 26      0.1052970              9.779516E-06     
 27      0.0514640              1.146026E-05     
S   27
  1      1.37766E+08           -4.218706E-08     
  2      2.45640E+07           -2.817388E-07     
  3      5.47999E+06           -1.632223E-06     
  4      1.46664E+06           -7.471311E-06     
  5 454421.0000000             -2.893181E-05     
  6 158216.0000000             -9.800407E-05     
  7  60404.3000000             -0.0002997548     
  8  24793.6000000             -0.0008468121     
  9  10772.3000000             -0.002246523      
 10   4895.5400000             -0.005649008      
 11   2306.5600000             -0.01349329       
 12   1119.5600000             -0.03037651       
 13    557.3810000             -0.06317168       
 14    283.7780000             -0.1169586        
 15    147.4360000             -0.1804917        
 16     78.0227000             -0.1999569        
 17     41.9679000             -0.09135649       
 18     22.8778000              0.1705224        
 19     12.5845000              0.4562984        
 20      6.9417000              0.4058134        
 21      3.8062900              0.1228205        
 22      2.0503100              0.009020458      
 23      1.0683800             -0.001825436      
 24      0.5366060             -0.001093262      
 25      0.1832600             -8.298619E-05     
 26      0.1052970              0.0001053172     
 27      0.0514640              5.625668E-05     
S   27
  1      1.37766E+08            1.015457E-08     
  2      2.45640E+07            6.782945E-08     
  3      5.47999E+06            3.928614E-07     
  4      1.46664E+06            1.798871E-06     
  5 454421.0000000              6.963577E-06     
  6 158216.0000000              2.360275E-05     
  7  60404.3000000              7.217248E-05     
  8  24793.6000000              0.0002041835     
  9  10772.3000000              0.0005421183     
 10   4895.5400000              0.001369241      
 11   2306.5600000              0.003290005      
 12   1119.5600000              0.007518812      
 13    557.3810000              0.01602116       
 14    283.7780000              0.03113189       
 15    147.4360000              0.05187931       
 16     78.0227000              0.0645544        
 17     41.9679000              0.03109453       
 18     22.8778000             -0.08134397       
 19     12.5845000             -0.2830847        
 20      6.9417000             -0.3683282        
 21      3.8062900             -0.05599023       
 22      2.0503100              0.4285509        
 23      1.0683800              0.5819623        
 24      0.5366060              0.2496080        
 25      0.1832600              0.01728022       
 26      0.1052970             -0.004795031      
 27      0.0514640              0.003440433      
S   27
  1      1.37766E+08           -2.246625E-09     
  2      2.45640E+07           -1.500767E-08     
  3      5.47999E+06           -8.691633E-08     
  4      1.46664E+06           -3.980171E-07     
  5 454421.0000000             -1.540586E-06     
  6 158216.0000000             -5.222482E-06     
  7  60404.3000000             -1.596671E-05     
  8  24793.6000000             -4.518135E-05     
  9  10772.3000000             -0.0001199336     
 10   4895.5400000             -0.0003030247     
 11   2306.5600000             -0.0007279695     
 12   1119.5600000             -0.001664739      
 13    557.3810000             -0.003547631      
 14    283.7780000             -0.00690479       
 15    147.4360000             -0.01152342       
 16     78.0227000             -0.01441381       
 17     41.9679000             -0.006961783      
 18     22.8778000              0.01838929       
 19     12.5845000              0.0665831        
 20      6.9417000              0.09026754       
 21      3.8062900              0.01114062       
 22      2.0503100             -0.1232779        
 23      1.0683800             -0.2094592        
 24      0.5366060             -0.1925129        
 25      0.1832600              0.0752431        
 26      0.1052970              0.4096457        
 27      0.0514640              0.5138881        
S   27
  1      1.37766E+08           -4.534252E-09     
  2      2.45640E+07           -3.003406E-08     
  3      5.47999E+06           -1.758309E-07     
  4      1.46664E+06           -7.947986E-07     
  5 454421.0000000             -3.125609E-06     
  6 158216.0000000             -1.039025E-05     
  7  60404.3000000             -3.253639E-05     
  8  24793.6000000             -8.943434E-05     
  9  10772.3000000             -0.0002457164     
 10   4895.5400000             -0.0005964197     
 11   2306.5600000             -0.001500461      
 12   1119.5600000             -0.003255209      
 13    557.3810000             -0.007379623      
 14    283.7780000             -0.01333239       
 15    147.4360000             -0.02461735       
 16     78.0227000             -0.02607861       
 17     41.9679000             -0.02088826       
 18     22.8778000              0.05123107       
 19     12.5845000              0.1130295        
 20      6.9417000              0.2466771        
 21      3.8062900             -0.06508546       
 22      2.0503100             -0.2324403        
 23      1.0683800             -0.7884686        
 24      0.5366060              0.2571250        
 25      0.1832600              1.4735000        
 26      0.1052970             -0.01641997       
 27      0.0514640             -0.6176794        
S   27
  1      1.37766E+08           -7.148E-09        
  2      2.45640E+07           -4.720068E-08     
  3      5.47999E+06           -2.774238E-07     
  4      1.46664E+06           -1.248083E-06     
  5 454421.0000000             -4.936711E-06     
  6 158216.0000000             -1.629371E-05     
  7  60404.3000000             -5.147115E-05     
  8  24793.6000000             -0.0001399872     
  9  10772.3000000             -0.0003894882     
 10   4895.5400000             -0.0009316701     
 11   2306.5600000             -0.002384126      
 12   1119.5600000             -0.005075251      
 13    557.3810000             -0.01177533       
 14    283.7780000             -0.02073168       
 15    147.4360000             -0.03978041       
 16     78.0227000             -0.0398361        
 17     41.9679000             -0.03723219       
 18     22.8778000              0.09006454       
 19     12.5845000              0.1833979        
 20      6.9417000              0.4676477        
 21      3.8062900             -0.2128283        
 22      2.0503100             -0.7680324        
 23      1.0683800             -1.2496170        
 24      0.5366060              2.4127970        
 25      0.1832600              0.7227795        
 26      0.1052970             -2.5218430        
 27      0.0514640              0.3302503        
S   27
  1      1.37766E+08            8.949441E-09     
  2      2.45640E+07            6.11075E-08      
  3      5.47999E+06            3.441033E-07     
  4      1.46664E+06            1.62958E-06      
  5 454421.0000000              6.052563E-06     
  6 158216.0000000              2.158213E-05     
  7  60404.3000000              6.199578E-05     
  8  24793.6000000              0.0001890931     
  9  10772.3000000              0.0004590406     
 10   4895.5400000              0.001286601      
 11   2306.5600000              0.002744429      
 12   1119.5600000              0.007197225      
 13    557.3810000              0.01311149       
 14    283.7780000              0.03103962       
 15    147.4360000              0.04028608       
 16     78.0227000              0.07611996       
 17     41.9679000             -0.003929039      
 18     22.8778000             -0.008212308      
 19     12.5845000             -0.5082019        
 20      6.9417000             -0.3343452        
 21      3.8062900              0.08969441       
 22      2.0503100              2.7884720        
 23      1.0683800             -2.2387070        
 24      0.5366060             -1.6215140        
 25      0.1832600              5.0502260        
 26      0.1052970             -3.4580400        
 27      0.0514640             -1.2850680        
S   27
  1      1.37766E+08           -1.066381E-08     
  2      2.45640E+07           -7.316027E-08     
  3      5.47999E+06           -4.095669E-07     
  4      1.46664E+06           -1.952973E-06     
  5 454421.0000000             -7.192587E-06     
  6 158216.0000000             -2.591346E-05     
  7  60404.3000000             -7.34907E-05      
  8  24793.6000000             -0.0002276235     
  9  10772.3000000             -0.0005425268     
 10   4895.5400000             -0.001553473      
 11   2306.5600000             -0.003235321      
 12   1119.5600000             -0.008728688      
 13    557.3810000             -0.01543349       
 14    283.7780000             -0.03803991       
 15    147.4360000             -0.04719394       
 16     78.0227000             -0.09654593       
 17     41.9679000              0.01102053       
 18     22.8778000              0.002268643      
 19     12.5845000              0.7235714        
 20      6.9417000              0.6284262        
 21      3.8062900             -1.3868730        
 22      2.0503100             -3.6182300        
 23      1.0683800              8.7472240        
 24      0.5366060             -6.9446930        
 25      0.1832600              1.9204040        
 26      0.1052970              2.7673240        
 27      0.0514640             -4.8034180        
S   1
  1      0.0246780              1.0000000        
P   19
  1  79296.8000000              0.0000030        
  2  19317.1000000              0.0000230        
  3   6114.1000000              0.0001400        
  4   2316.2600000              0.0006490        
  5    989.6900000              0.0024900        
  6    457.9420000              0.0082780        
  7    223.6420000              0.0242560        
  8    113.5940000              0.0622630        
  9     59.5621000              0.1344250        
 10     32.1072000              0.2305460        
 11     17.7103000              0.3028020        
 12      9.9062100              0.2709290        
 13      5.5224300              0.1311240        
 14      3.0083200              0.0238760        
 15      1.5987300             -0.0013330        
 16      0.8308680             -0.0022010        
 17      0.4135380             -0.0008920        
 18      0.1711080             -0.0000580        
 19      0.0721660             -0.0000060        
P   19
  1  79296.8000000             -0.0000010        
  2  19317.1000000             -0.0000080        
  3   6114.1000000             -0.0000490        
  4   2316.2600000             -0.0002260        
  5    989.6900000             -0.0008670        
  6    457.9420000             -0.0028990        
  7    223.6420000             -0.0085880        
  8    113.5940000             -0.0224810        
  9     59.5621000             -0.0500630        
 10     32.1072000             -0.0890050        
 11     17.7103000             -0.1231560        
 12      9.9062100             -0.1081330        
 13      5.5224300              0.0330910        
 14      3.0083200              0.2649160        
 15      1.5987300              0.4034830        
 16      0.8308680              0.3248540        
 17      0.4135380              0.1174300        
 18      0.1711080              0.0101160        
 19      0.0721660              0.0001390        
P   18
  1  19317.1000000             -0.0000020        
  2   6114.1000000             -0.0000110        
  3   2316.2600000             -0.0000520        
  4    989.6900000             -0.0002010        
  5    457.9420000             -0.0006640        
  6    223.6420000             -0.0019890        
  7    113.5940000             -0.0051630        
  8     59.5621000             -0.0116530        
  9     32.1072000             -0.0204990        
 10     17.7103000             -0.0291510        
 11      9.9062100             -0.0246150        
 12      5.5224300              0.0097150        
 13      3.0083200              0.0754410        
 14      1.5987300              0.1132040        
 15      0.8308680              0.1117760        
 16      0.4135380             -0.0440690        
 17      0.1711080             -0.3663240        
 18      0.0721660             -0.5217500        
P   18
  1  19317.1000000              0.0000020        
  2   6114.1000000              0.0000150        
  3   2316.2600000              0.0000690        
  4    989.6900000              0.0002680        
  5    457.9420000              0.0008870        
  6    223.6420000              0.0026510        
  7    113.5940000              0.0068870        
  8     59.5621000              0.0155180        
  9     32.1072000              0.0273590        
 10     17.7103000              0.0388620        
 11      9.9062100              0.0331240        
 12      5.5224300             -0.0123220        
 13      3.0083200             -0.0993820        
 14      1.5987300             -0.1521070        
 15      0.8308680             -0.1564310        
 16      0.4135380              0.0650050        
 17      0.1711080              0.6060200        
 18      0.0721660              0.4366030        
P   19
  1  79296.8000000              0.0000010        
  2  19317.1000000              0.0000050        
  3   6114.1000000              0.0000340        
  4   2316.2600000              0.0001430        
  5    989.6900000              0.0005980        
  6    457.9420000              0.0018360        
  7    223.6420000              0.0059260        
  8    113.5940000              0.0142470        
  9     59.5621000              0.0349660        
 10     32.1072000              0.0555390        
 11     17.7103000              0.0932280        
 12      9.9062100              0.0637480        
 13      5.5224300             -0.0048200        
 14      3.0083200             -0.3313960        
 15      1.5987300             -0.4086080        
 16      0.8308680             -0.1206320        
 17      0.4135380              1.2130530        
 18      0.1711080              0.0834220        
 19      0.0721660             -0.7984570        
P   19
  1  79296.8000000              0.0000010        
  2  19317.1000000              0.0000080        
  3   6114.1000000              0.0000380        
  4   2316.2600000              0.0002180        
  5    989.6900000              0.0006870        
  6    457.9420000              0.0028050        
  7    223.6420000              0.0068190        
  8    113.5940000              0.0219170        
  9     59.5621000              0.0391730        
 10     32.1072000              0.0916730        
 11     17.7103000              0.0889890        
 12      9.9062100              0.1938430        
 13      5.5224300             -0.1670910        
 14      3.0083200             -0.6030080        
 15      1.5987300             -0.7469800        
 16      0.8308680              1.9864650        
 17      0.4135380             -0.2640370        
 18      0.1711080             -1.5278200        
 19      0.0721660              1.1102770        
P   19
  1  79296.8000000             -0.0000010        
  2  19317.1000000             -0.0000090        
  3   6114.1000000             -0.0000610        
  4   2316.2600000             -0.0002580        
  5    989.6900000             -0.0010900        
  6    457.9420000             -0.0033360        
  7    223.6420000             -0.0108790        
  8    113.5940000             -0.0262170        
  9     59.5621000             -0.0651420        
 10     32.1072000             -0.1036590        
 11     17.7103000             -0.1798150        
 12      9.9062100             -0.2372120        
 13      5.5224300              0.4289330        
 14      3.0083200              1.7159450        
 15      1.5987300             -2.1889430        
 16      0.8308680             -0.7886070        
 17      0.4135380              2.9045500        
 18      0.1711080             -2.4975380        
 19      0.0721660              0.9969160        
P   1
  1      0.0301650              1.0000000        
D   11
  1    435.1000000              0.0001640        
  2    130.9820000              0.0015220        
  3     50.8816000              0.0082730        
  4     22.3008000              0.0300090        
  5     10.3552000              0.0825800        
  6      5.0152100              0.1735770        
  7      2.4679300              0.2626510        
  8      1.2036900              0.2984790        
  9      0.5741520              0.2656810        
 10      0.2641140              0.1802830        
 11      0.1151280              0.0766130        
D   11
  1    435.1000000             -0.0001670        
  2    130.9820000             -0.0015520        
  3     50.8816000             -0.0084650        
  4     22.3008000             -0.0308790        
  5     10.3552000             -0.0869740        
  6      5.0152100             -0.1838990        
  7      2.4679300             -0.2523340        
  8      1.2036900             -0.1705240        
  9      0.5741520              0.1226330        
 10      0.2641140              0.4216570        
 11      0.1151280              0.4069480        
D   11
  1    435.1000000             -0.0002640        
  2    130.9820000             -0.0024650        
  3     50.8816000             -0.0135790        
  4     22.3008000             -0.0501340        
  5     10.3552000             -0.1470570        
  6      5.0152100             -0.3005680        
  7      2.4679300             -0.2747340        
  8      1.2036900              0.1995370        
  9      0.5741520              0.6304240        
 10      0.2641140              0.0936480        
 11      0.1151280             -0.5780320        
D   11
  1    435.1000000             -0.0003350        
  2    130.9820000             -0.0031170        
  3     50.8816000             -0.0173510        
  4     22.3008000             -0.0644280        
  5     10.3552000             -0.2031970        
  6      5.0152100             -0.4122630        
  7      2.4679300             -0.0104480        
  8      1.2036900              0.9383060        
  9      0.5741520             -0.1067180        
 10      0.2641140             -0.9815340        
 11      0.1151280              0.4637150        
D   11
  1    435.1000000              0.0004280        
  2    130.9820000              0.0040650        
  3     50.8816000              0.0224800        
  4     22.3008000              0.0881960        
  5     10.3552000              0.3015230        
  6      5.0152100              0.4548760        
  7      2.4679300             -0.8562740        
  8      1.2036900             -0.4854470        
  9      0.5741520              1.6097040        
 10      0.2641140             -1.0002050        
 11      0.1151280             -0.3451560        
D   1
  1      0.0460820              1.0000000        
F   1
  1      6.5601000              1.0000000        
F   1
  1      2.2490000              1.0000000        
F   1
  1      0.7710000              1.0000000        
F   1
  1      0.2643000              1.0000000        
G   1
  1      4.9372000              1.0000000        
G   1
  1      1.6330000              1.0000000        
G   1
  1      0.5401000              1.0000000        
H   1
  1      3.5889000              1.0000000        
H   1
  1      1.0793000              1.0000000        
I   1
  1      2.6052000              1.0000000        


name: cc-pV5Z
description: V5Z4P Valence Quintuple Zeta + Polarization on All Atoms
elt: Fe
data:
IRON
S   27
  1      1.49769E+08            8.65756E-08      
  2      2.67225E+07            5.77912E-07      
  3      5.95900E+06            3.351645E-06     
  4      1.59361E+06            1.535765E-05     
  5 493464.0000000              5.94969E-05      
  6 171790.0000000              0.0002014152     
  7  65620.9000000              0.0006149037     
  8  26965.6000000              0.001731321      
  9  11735.3000000              0.004569368      
 10   5343.4300000              0.01139791       
 11   2522.5000000              0.02686784       
 12   1226.4300000              0.05910762       
 13    611.2690000              0.1178426        
 14    311.3080000              0.2013762        
 15    161.6240000              0.2660774        
 16     85.3767000              0.2259862        
 17     45.7911000              0.0989389        
 18     24.8677000              0.04932559       
 19     13.6202000              0.08604376       
 20      7.4810600              0.07322462       
 21      4.0881700              0.0211745        
 22      2.1990500              0.001623143      
 23      1.1481500              1.197242E-06     
 24      0.5772650             -5.963673E-05     
 25      0.1976350             -7.981802E-07     
 26      0.1089860              9.664711E-06     
 27      0.0532160              9.1322E-06       
S   27
  1      1.49769E+08           -4.466833E-08     
  2      2.67225E+07           -2.981708E-07     
  3      5.95900E+06           -1.729284E-06     
  4      1.59361E+06           -7.923933E-06     
  5 493464.0000000             -3.070041E-05     
  6 171790.0000000             -0.0001039495     
  7  65620.9000000             -0.0003175045     
  8  26965.6000000             -0.0008949487     
  9  11735.3000000             -0.002367812      
 10   5343.4300000             -0.005936926      
 11   2522.5000000             -0.01414486       
 12   1226.4300000             -0.03178413       
 13    611.2690000             -0.0660463        
 14    311.3080000             -0.1222703        
 15    161.6240000             -0.1886920        
 16     85.3767000             -0.2090970        
 17     45.7911000             -0.09698896       
 18     24.8677000              0.1731916        
 19     13.6202000              0.4624772        
 20      7.4810600              0.3998340        
 21      4.0881700              0.1152408        
 22      2.1990500              0.008408747      
 23      1.1481500             -0.00129691       
 24      0.5772650             -0.0007550238     
 25      0.1976350             -6.907416E-05     
 26      0.1089860              8.777604E-05     
 27      0.0532160              3.250702E-05     
S   27
  1      1.49769E+08            1.025471E-08     
  2      2.67225E+07            6.846679E-08     
  3      5.95900E+06            3.96979E-07      
  4      1.59361E+06            1.819651E-06     
  5 493464.0000000              7.047651E-06     
  6 171790.0000000              2.387774E-05     
  7  65620.9000000              7.291472E-05     
  8  26965.6000000              0.0002058392     
  9  11735.3000000              0.0005451035     
 10   5343.4300000              0.001373278      
 11   2522.5000000              0.003293117      
 12   1226.4300000              0.007520746      
 13    611.2690000              0.01604652       
 14    311.3080000              0.03130265       
 15    161.6240000              0.05252865       
 16     85.3767000              0.06605295       
 17     45.7911000              0.03249377       
 18     24.8677000             -0.08476809       
 19     13.6202000             -0.2950180        
 20      7.4810600             -0.3709547        
 21      4.0881700             -0.03464813       
 22      2.1990500              0.4462486        
 23      1.1481500              0.5717586        
 24      0.5772650              0.2348678        
 25      0.1976350              0.01506233       
 26      0.1089860             -0.003437339      
 27      0.0532160              0.003254188      
S   27
  1      1.49769E+08           -2.217427E-09     
  2      2.67225E+07           -1.480595E-08     
  3      5.95900E+06           -8.583901E-08     
  4      1.59361E+06           -3.93507E-07      
  5 493464.0000000             -1.523883E-06     
  6 171790.0000000             -5.163835E-06     
  7  65620.9000000             -1.576558E-05     
  8  26965.6000000             -4.451792E-05     
  9  11735.3000000             -0.000117862      
 10   5343.4300000             -0.0002970506     
 11   2522.5000000             -0.00071215       
 12   1226.4300000             -0.001627578      
 13    611.2690000             -0.003472813      
 14    311.3080000             -0.006786387      
 15    161.6240000             -0.01140447       
 16     85.3767000             -0.0144202        
 17     45.7911000             -0.007112199      
 18     24.8677000              0.01875196       
 19     13.6202000              0.06800067       
 20      7.4810600              0.08897549       
 21      4.0881700              0.005375665      
 22      2.1990500             -0.1262455        
 23      1.1481500             -0.2047776        
 24      0.5772650             -0.1813373        
 25      0.1976350              0.08926755       
 26      0.1089860              0.4152351        
 27      0.0532160              0.4980481        
S   27
  1      1.49769E+08           -4.424824E-09     
  2      2.67225E+07           -2.930792E-08     
  3      5.95900E+06           -1.71671E-07      
  4      1.59361E+06           -7.77332E-07      
  5 493464.0000000             -3.05604E-06      
  6 171790.0000000             -1.016453E-05     
  7  65620.9000000             -3.175112E-05     
  8  26965.6000000             -8.719808E-05     
  9  11735.3000000             -0.0002386228     
 10   5343.4300000             -0.0005786208     
 11   2522.5000000             -0.001450243      
 12   1226.4300000             -0.003150862      
 13    611.2690000             -0.007132634      
 14    311.3080000             -0.01299059       
 15    161.6240000             -0.02399757       
 16     85.3767000             -0.02606463       
 17     45.7911000             -0.02037216       
 18     24.8677000              0.05015681       
 19     13.6202000              0.1171966        
 20      7.4810600              0.2376384        
 21      4.0881700             -0.07287353       
 22      2.1990500             -0.2495889        
 23      1.1481500             -0.7317222        
 24      0.5772650              0.2562426        
 25      0.1976350              1.3560610        
 26      0.1089860              0.05874061       
 27      0.0532160             -0.5623917        
S   27
  1      1.49769E+08           -7.310611E-09     
  2      2.67225E+07           -4.824191E-08     
  3      5.95900E+06           -2.839212E-07     
  4      1.59361E+06           -1.27829E-06      
  5 493464.0000000             -5.060659E-06     
  6 171790.0000000             -1.66875E-05      
  7  65620.9000000             -5.268054E-05     
  8  26965.6000000             -0.0001428269     
  9  11735.3000000             -0.0003968842     
 10   5343.4300000             -0.0009453497     
 11   2522.5000000             -0.002419017      
 12   1226.4300000             -0.005134981      
 13    611.2690000             -0.01195244       
 14    311.3080000             -0.02109359       
 15    161.6240000             -0.04075824       
 16     85.3767000             -0.04137104       
 17     45.7911000             -0.0387337        
 18     24.8677000              0.09345579       
 19     13.6202000              0.1922005        
 20      7.4810600              0.4898034        
 21      4.0881700             -0.2420892        
 22      2.1990500             -0.8764617        
 23      1.1481500             -1.0744520        
 24      0.5772650              2.3517730        
 25      0.1976350              0.5240434        
 26      0.1089860             -2.2517260        
 27      0.0532160              0.2695895        
S   27
  1      1.49769E+08            9.015017E-09     
  2      2.67225E+07            6.106675E-08     
  3      5.95900E+06            3.475829E-07     
  4      1.59361E+06            1.628897E-06     
  5 493464.0000000              6.139742E-06     
  6 171790.0000000              2.150851E-05     
  7  65620.9000000              6.302967E-05     
  8  26965.6000000              0.0001870318     
  9  11735.3000000              0.0004667623     
 10   5343.4300000              0.001260398      
 11   2522.5000000              0.002793658      
 12   1226.4300000              0.00699293       
 13    611.2690000              0.01347323       
 14    311.3080000              0.02996288       
 15    161.6240000              0.04304064       
 16     85.3767000              0.07114008       
 17     45.7911000              0.00991124       
 18     24.8677000             -0.03635768       
 19     13.6202000             -0.4435727        
 20      7.4810600             -0.5159647        
 21      4.0881700              0.3276521        
 22      2.1990500              2.9003630        
 23      1.1481500             -2.8382230        
 24      0.5772650             -1.0430590        
 25      0.1976350              4.5316650        
 26      0.1089860             -3.2699620        
 27      0.0532160             -1.0260610        
S   27
  1      1.49769E+08           -1.054576E-08     
  2      2.67225E+07           -7.056298E-08     
  3      5.95900E+06           -4.07978E-07      
  4      1.59361E+06           -1.876538E-06     
  5 493464.0000000             -7.237094E-06     
  6 171790.0000000             -2.464974E-05     
  7  65620.9000000             -7.478965E-05     
  8  26965.6000000             -0.0002128281     
  9  11735.3000000             -0.0005585257     
 10   5343.4300000             -0.00142342       
 11   2522.5000000             -0.003375476      
 12   1226.4300000             -0.007838124      
 13    611.2690000             -0.01654157       
 14    311.3080000             -0.03319364       
 15    161.6240000             -0.0553315        
 16     85.3767000             -0.07431718       
 17     45.7911000             -0.03576261       
 18     24.8677000              0.09555264       
 19     13.6202000              0.4920463        
 20      7.4810600              1.2092390        
 21      4.0881700             -2.5331060        
 22      2.1990500             -2.3277190        
 23      1.1481500              8.1954170        
 24      0.5772650             -7.2448810        
 25      0.1976350              3.1292460        
 26      0.1089860              1.1613620        
 27      0.0532160             -3.8758240        
S   1
  1      0.0255710              1.0000000        
P   19
  1  86947.3000000              0.0000020        
  2  21254.0000000              0.0000220        
  3   6741.1400000              0.0001370        
  4   2557.1600000              0.0006330        
  5   1093.5100000              0.0024280        
  6    506.1610000              0.0080880        
  7    247.1390000              0.0238010        
  8    125.4150000              0.0614900        
  9     65.6512000              0.1338960        
 10     35.3079000              0.2315900        
 11     19.4260000              0.3051640        
 12     10.8438000              0.2709610        
 13      6.0435900              0.1290850        
 14      3.3024500              0.0234320        
 15      1.7638900             -0.0009120        
 16      0.9213860             -0.0018800        
 17      0.4603730             -0.0007740        
 18      0.1836130             -0.0000500        
 19      0.0758570             -0.0000020        
P   19
  1  86947.3000000             -0.0000010        
  2  21254.0000000             -0.0000080        
  3   6741.1400000             -0.0000480        
  4   2557.1600000             -0.0002230        
  5   1093.5100000             -0.0008580        
  6    506.1610000             -0.0028740        
  7    247.1390000             -0.0085490        
  8    125.4150000             -0.0225280        
  9     65.6512000             -0.0506120        
 10     35.3079000             -0.0908530        
 11     19.4260000             -0.1261670        
 12     10.8438000             -0.1087830        
 13      6.0435900              0.0380140        
 14      3.3024500              0.2686010        
 15      1.7638900              0.4011180        
 16      0.9213860              0.3201590        
 17      0.4603730              0.1178280        
 18      0.1836130              0.0103210        
 19      0.0758570             -0.0002070        
P   18
  1  21254.0000000              0.0000020        
  2   6741.1400000              0.0000110        
  3   2557.1600000              0.0000490        
  4   1093.5100000              0.0001900        
  5    506.1610000              0.0006290        
  6    247.1390000              0.0018960        
  7    125.4150000              0.0049400        
  8     65.6512000              0.0112840        
  9     35.3079000              0.0199750        
 10     19.4260000              0.0286520        
 11     10.8438000              0.0234470        
 12      6.0435900             -0.0101570        
 13      3.3024500             -0.0737810        
 14      1.7638900             -0.1060330        
 15      0.9213860             -0.1072140        
 16      0.4603730              0.0388870        
 17      0.1836130              0.3560020        
 18      0.0758570              0.5256190        
P   18
  1  21254.0000000              0.0000030        
  2   6741.1400000              0.0000160        
  3   2557.1600000              0.0000720        
  4   1093.5100000              0.0002850        
  5    506.1610000              0.0009310        
  6    247.1390000              0.0028370        
  7    125.4150000              0.0073090        
  8     65.6512000              0.0168900        
  9     35.3079000              0.0294880        
 10     19.4260000              0.0433150        
 11     10.8438000              0.0342620        
 12      6.0435900             -0.0126420        
 13      3.3024500             -0.1153800        
 14      1.7638900             -0.1597990        
 15      0.9213860             -0.1624660        
 16      0.4603730              0.1157490        
 17      0.1836130              0.6334080        
 18      0.0758570              0.3848220        
P   19
  1  86947.3000000              0.0000010        
  2  21254.0000000              0.0000050        
  3   6741.1400000              0.0000350        
  4   2557.1600000              0.0001480        
  5   1093.5100000              0.0006300        
  6    506.1610000              0.0019130        
  7    247.1390000              0.0062820        
  8    125.4150000              0.0150250        
  9     65.6512000              0.0376700        
 10     35.3079000              0.0595210        
 11     19.4260000              0.1023020        
 12     10.8438000              0.0667160        
 13      6.0435900             -0.0046980        
 14      3.3024500             -0.3942540        
 15      1.7638900             -0.4102480        
 16      0.9213860             -0.0101410        
 17      0.4603730              1.1891730        
 18      0.1836130             -0.0476880        
 19      0.0758570             -0.7406230        
P   19
  1  86947.3000000              0.0000010        
  2  21254.0000000              0.0000080        
  3   6741.1400000              0.0000390        
  4   2557.1600000              0.0002240        
  5   1093.5100000              0.0006930        
  6    506.1610000              0.0028800        
  7    247.1390000              0.0069440        
  8    125.4150000              0.0227470        
  9     65.6512000              0.0406250        
 10     35.3079000              0.0966580        
 11     19.4260000              0.0922040        
 12     10.8438000              0.2132970        
 13      6.0435900             -0.2060540        
 14      3.3024500             -0.6970400        
 15      1.7638900             -0.5861790        
 16      0.9213860              2.0953970        
 17      0.4603730             -0.6206040        
 18      0.1836130             -1.2761030        
 19      0.0758570              1.0949440        
P   19
  1  86947.3000000              0.0000010        
  2  21254.0000000              0.0000100        
  3   6741.1400000              0.0000570        
  4   2557.1600000              0.0002980        
  5   1093.5100000              0.0010240        
  6    506.1610000              0.0038480        
  7    247.1390000              0.0103190        
  8    125.4150000              0.0307110        
  9     65.6512000              0.0617990        
 10     35.3079000              0.1300020        
 11     19.4260000              0.1521010        
 12     10.8438000              0.3802740        
 13      6.0435900             -0.8124970        
 14      3.3024500             -1.5336760        
 15      1.7638900              2.7453080        
 16      0.9213860             -0.1935220        
 17      0.4603730             -2.1517710        
 18      0.1836130              2.2005390        
 19      0.0758570             -1.0191770        
P   1
  1      0.0311470              1.0000000        
D   11
  1    489.1150000              0.0001610        
  2    147.2080000              0.0015040        
  3     57.1278000              0.0082640        
  4     25.0429000              0.0303080        
  5     11.6672000              0.0833100        
  6      5.6825000              0.1734770        
  7      2.8132500              0.2614830        
  8      1.3773300              0.2996800        
  9      0.6565340              0.2695640        
 10      0.3007000              0.1786260        
 11      0.1301870              0.0691950        
D   11
  1    489.1150000             -0.0001770        
  2    147.2080000             -0.0016620        
  3     57.1278000             -0.0091670        
  4     25.0429000             -0.0338130        
  5     11.6672000             -0.0952530        
  6      5.6825000             -0.2009730        
  7      2.8132500             -0.2716650        
  8      1.3773300             -0.1618990        
  9      0.6565340              0.1633340        
 10      0.3007000              0.4360160        
 11      0.1301870              0.3688740        
D   11
  1    489.1150000              0.0002550        
  2    147.2080000              0.0024170        
  3     57.1278000              0.0133600        
  4     25.0429000              0.0501130        
  5     11.6672000              0.1462150        
  6      5.6825000              0.3074050        
  7      2.8132500              0.2670510        
  8      1.3773300             -0.2621310        
  9      0.6565340             -0.6319990        
 10      0.3007000             -0.0025160        
 11      0.1301870              0.6017010        
D   11
  1    489.1150000             -0.0003430        
  2    147.2080000             -0.0033700        
  3     57.1278000             -0.0182450        
  4     25.0429000             -0.0707720        
  5     11.6672000             -0.2178620        
  6      5.6825000             -0.4774330        
  7      2.8132500              0.1101250        
  8      1.3773300              1.0166160        
  9      0.6565340             -0.3807830        
 10      0.3007000             -0.8475000        
 11      0.1301870              0.5934410        
D   11
  1    489.1150000             -0.0004800        
  2    147.2080000             -0.0041140        
  3     57.1278000             -0.0251280        
  4     25.0429000             -0.0908760        
  5     11.6672000             -0.3569300        
  6      5.6825000             -0.4983040        
  7      2.8132500              1.2870220        
  8      1.3773300             -0.1020050        
  9      0.6565340             -1.4530250        
 10      0.3007000              1.4203760        
 11      0.1301870             -0.2129640        
D   1
  1      0.0515820              1.0000000        
F   1
  1      7.5384000              1.0000000        
F   1
  1      2.6229000              1.0000000        
F   1
  1      0.9126000              1.0000000        
F   1
  1      0.3175000              1.0000000        
G   1
  1      5.8324000              1.0000000        
G   1
  1      1.9704000              1.0000000        
G   1
  1      0.6657000              1.0000000        
H   1
  1      4.2600000              1.0000000        
H   1
  1      1.3156000              1.0000000        
I   1
  1      3.1502000              1.0000000        


