mirror of
https://github.com/pfloos/quack
synced 2024-10-31 19:23:52 +01:00
1283 lines
46 KiB
Plaintext
1283 lines
46 KiB
Plaintext
!----------------------------------------------------------------------
|
|
! Basis Set Exchange
|
|
! Version v0.8.12
|
|
! https://www.basissetexchange.org
|
|
!----------------------------------------------------------------------
|
|
! Basis set: 4ZaPa-NR
|
|
! Description: Quadruple Zeta augmented + polarization
|
|
! (nonrelativistic)
|
|
! Role: orbital
|
|
! Version: 1 (Data from Supplemental Information of publications)
|
|
!----------------------------------------------------------------------
|
|
|
|
|
|
$DATA
|
|
|
|
HYDROGEN
|
|
S 7
|
|
1 0.1907996280E+03 0.7061124941E-03
|
|
2 0.2864425700E+02 0.5475336771E-02
|
|
3 0.6499666000E+01 0.2797731080E-01
|
|
4 0.1843654000E+01 0.1074041990E+00
|
|
5 0.5987830000E+00 0.2991562050E+00
|
|
6 0.2139610000E+00 0.4740174051E+00
|
|
7 0.8032200000E-01 0.2294115550E+00
|
|
S 1
|
|
1 0.8017240000E+00 0.1000000000E+01
|
|
S 1
|
|
1 0.2597140000E+00 0.1000000000E+01
|
|
S 1
|
|
1 0.9337500000E-01 0.1000000000E+01
|
|
S 1
|
|
1 0.2905840000E-01 0.1000000000E+01
|
|
S 1
|
|
1 0.1158000000E-01 0.1000000000E+01
|
|
P 1
|
|
1 0.2791527000E+01 0.1000000000E+01
|
|
P 1
|
|
1 0.8745530000E+00 0.1000000000E+01
|
|
P 1
|
|
1 0.3003000000E+00 0.1000000000E+01
|
|
P 1
|
|
1 0.1031100000E+00 0.1000000000E+01
|
|
D 1
|
|
1 0.2023425000E+01 0.1000000000E+01
|
|
D 1
|
|
1 0.6748480000E+00 0.1000000000E+01
|
|
D 1
|
|
1 0.2250737000E+00 0.1000000000E+01
|
|
F 1
|
|
1 0.1367042037E+01 0.1000000000E+01
|
|
|
|
HELIUM
|
|
S 9
|
|
1 0.2325977120E+04 0.1469734409E-03
|
|
2 0.3506948210E+03 0.1146249949E-02
|
|
3 0.7930694400E+02 0.5948774027E-02
|
|
4 0.2279455200E+02 0.2348122669E-01
|
|
5 0.7505868000E+01 0.7632081087E-01
|
|
6 0.2670528000E+01 0.1923920599E+00
|
|
7 0.9965340000E+00 0.3454843618E+00
|
|
8 0.3832550000E+00 0.3830199658E+00
|
|
9 0.1486430000E+00 0.1453979699E+00
|
|
S 1
|
|
1 0.2619711000E+01 0.1000000000E+01
|
|
S 1
|
|
1 0.8297100000E+00 0.1000000000E+01
|
|
S 1
|
|
1 0.2627840000E+00 0.1000000000E+01
|
|
S 1
|
|
1 0.5765023700E-01 0.1000000000E+01
|
|
P 1
|
|
1 0.6222276000E+01 0.1000000000E+01
|
|
P 1
|
|
1 0.1895196000E+01 0.1000000000E+01
|
|
P 1
|
|
1 0.5772440000E+00 0.1000000000E+01
|
|
P 1
|
|
1 0.1758180000E+00 0.1000000000E+01
|
|
D 1
|
|
1 0.4105085000E+01 0.1000000000E+01
|
|
D 1
|
|
1 0.1141008000E+01 0.1000000000E+01
|
|
D 1
|
|
1 0.3171430000E+00 0.1000000000E+01
|
|
F 1
|
|
1 0.2445665391E+01 0.1000000000E+01
|
|
|
|
LITHIUM
|
|
S 9
|
|
1 0.3525396754E+04 0.2484781110E-03
|
|
2 0.5521573070E+03 0.1904737140E-02
|
|
3 0.1212530610E+03 0.1043830250E-01
|
|
4 0.3389579300E+02 0.4128597180E-01
|
|
5 0.1112113400E+02 0.1257950240E+00
|
|
6 0.4009661000E+01 0.2811736100E+00
|
|
7 0.1510442000E+01 0.4262452080E+00
|
|
8 0.5739800000E+00 0.2601233970E+00
|
|
9 0.2157360000E+00 0.1488532870E-01
|
|
S 6
|
|
1 0.4009661000E+01 -0.4756502380E-02
|
|
2 0.1510442000E+01 -0.2289129880E-01
|
|
3 0.5739800000E+00 -0.8586100510E-01
|
|
4 0.2157360000E+00 -0.2364536160E-01
|
|
5 0.7985200000E-01 0.5375731240E+00
|
|
6 0.2942900000E-01 0.5735048250E+00
|
|
S 1
|
|
1 0.8683590000E+00 0.1000000000E+01
|
|
S 1
|
|
1 0.1618900000E+00 0.1000000000E+01
|
|
S 1
|
|
1 0.3018200000E-01 0.1000000000E+01
|
|
S 1
|
|
1 0.7723890040E-02 0.1000000000E+01
|
|
P 6
|
|
1 0.6257818000E+01 0.3375571540E-02
|
|
2 0.1373262000E+01 0.1923057270E-01
|
|
3 0.3679820000E+00 0.7882455690E-01
|
|
4 0.1193750000E+00 0.2737461090E+00
|
|
5 0.4476300000E-01 0.5198621120E+00
|
|
6 0.1795100000E-01 0.2847120850E+00
|
|
P 1
|
|
1 0.9098460000E+00 0.1000000000E+01
|
|
P 1
|
|
1 0.2842640000E+00 0.1000000000E+01
|
|
P 1
|
|
1 0.8881300000E-01 0.1000000000E+01
|
|
P 1
|
|
1 0.7198767000E-02 0.1000000000E+01
|
|
D 1
|
|
1 0.2544910000E+00 0.1000000000E+01
|
|
D 1
|
|
1 0.1291060000E+00 0.1000000000E+01
|
|
D 1
|
|
1 0.6549700000E-01 0.1000000000E+01
|
|
D 1
|
|
1 0.3322700000E-01 0.1000000000E+01
|
|
F 1
|
|
1 0.2484330000E+00 0.1000000000E+01
|
|
F 1
|
|
1 0.1204860000E+00 0.1000000000E+01
|
|
F 1
|
|
1 0.5843370000E-01 0.1000000000E+01
|
|
G 1
|
|
1 0.2087717829E+00 0.1000000000E+01
|
|
|
|
BERYLLIUM
|
|
S 9
|
|
1 0.1169131840E+05 0.1163572997E-03
|
|
2 0.1855028150E+04 0.8850715466E-03
|
|
3 0.4055612870E+03 0.4950444343E-02
|
|
4 0.1124684900E+03 0.2036627137E-01
|
|
5 0.3684010600E+02 0.6691265141E-01
|
|
6 0.1342806000E+02 0.1737095970E+00
|
|
7 0.5191298000E+01 0.3412084367E+00
|
|
8 0.2053050000E+01 0.4033098525E+00
|
|
9 0.8106610000E+00 0.1464542181E+00
|
|
S 7
|
|
1 0.1342806000E+02 -0.2405785455E-02
|
|
2 0.5191298000E+01 -0.1120514078E-01
|
|
3 0.2053050000E+01 -0.5515100259E-01
|
|
4 0.8106610000E+00 -0.8032907412E-01
|
|
5 0.3156870000E+00 0.1863852239E+00
|
|
6 0.1212160000E+00 0.5862441837E+00
|
|
7 0.4644600000E-01 0.3567487479E+00
|
|
S 1
|
|
1 0.3608120000E+00 0.1000000000E+01
|
|
S 1
|
|
1 0.1386780000E+00 0.1000000000E+01
|
|
S 1
|
|
1 0.5330100000E-01 0.1000000000E+01
|
|
S 1
|
|
1 0.1779658600E-01 0.1000000000E+01
|
|
P 6
|
|
1 0.1415901300E+02 0.4080863714E-02
|
|
2 0.3199382000E+01 0.2558683072E-01
|
|
3 0.9125280000E+00 0.1036588001E+00
|
|
4 0.3073310000E+00 0.3099668073E+00
|
|
5 0.1143170000E+00 0.4976474184E+00
|
|
6 0.4349700000E-01 0.2610313622E+00
|
|
P 1
|
|
1 0.4746190000E+00 0.1000000000E+01
|
|
P 1
|
|
1 0.2602330000E+00 0.1000000000E+01
|
|
P 1
|
|
1 0.1426860000E+00 0.1000000000E+01
|
|
P 1
|
|
1 0.1655037300E-01 0.1000000000E+01
|
|
D 1
|
|
1 0.5599130000E+00 0.1000000000E+01
|
|
D 1
|
|
1 0.2770760000E+00 0.1000000000E+01
|
|
D 1
|
|
1 0.1371130000E+00 0.1000000000E+01
|
|
D 1
|
|
1 0.6785130000E-01 0.1000000000E+01
|
|
F 1
|
|
1 0.5106650000E+00 0.1000000000E+01
|
|
F 1
|
|
1 0.2231370000E+00 0.1000000000E+01
|
|
F 1
|
|
1 0.9750050000E-01 0.1000000000E+01
|
|
G 1
|
|
1 0.3902882495E+00 0.1000000000E+01
|
|
|
|
BORON
|
|
S 9
|
|
1 0.1916789524E+05 0.1115339468E-03
|
|
2 0.3040195144E+04 0.8480093052E-03
|
|
3 0.6654244930E+03 0.4738251669E-02
|
|
4 0.1846319260E+03 0.1953362105E-01
|
|
5 0.6048421600E+02 0.6459245831E-01
|
|
6 0.2207073500E+02 0.1698914656E+00
|
|
7 0.8565616000E+01 0.3389530127E+00
|
|
8 0.3413736000E+01 0.4049071807E+00
|
|
9 0.1362850000E+01 0.1516600449E+00
|
|
S 8
|
|
1 0.6048421600E+02 -0.3151086148E-03
|
|
2 0.2207073500E+02 -0.2809044534E-02
|
|
3 0.8565616000E+01 -0.1442522797E-01
|
|
4 0.3413736000E+01 -0.6217465702E-01
|
|
5 0.1362850000E+01 -0.7350423170E-01
|
|
6 0.5366650000E+00 0.2244230498E+00
|
|
7 0.2070050000E+00 0.5835059501E+00
|
|
8 0.7826700000E-01 0.3270597170E+00
|
|
S 1
|
|
1 0.6291720000E+00 0.1000000000E+01
|
|
S 1
|
|
1 0.2350940000E+00 0.1000000000E+01
|
|
S 1
|
|
1 0.8784400000E-01 0.1000000000E+01
|
|
S 1
|
|
1 0.3024560081E-01 0.1000000000E+01
|
|
P 7
|
|
1 0.3970410000E+02 0.1980160173E-02
|
|
2 0.9274020000E+01 0.1422732895E-01
|
|
3 0.2806148000E+01 0.5952693593E-01
|
|
4 0.9875870000E+00 0.1813778129E+00
|
|
5 0.3743710000E+00 0.3627131997E+00
|
|
6 0.1452850000E+00 0.4257522924E+00
|
|
7 0.5602900000E-01 0.1887078779E+00
|
|
P 1
|
|
1 0.6329860000E+00 0.1000000000E+01
|
|
P 1
|
|
1 0.2287270000E+00 0.1000000000E+01
|
|
P 1
|
|
1 0.8264900000E-01 0.1000000000E+01
|
|
P 1
|
|
1 0.2228706484E-01 0.1000000000E+01
|
|
D 1
|
|
1 0.9880330000E+00 0.1000000000E+01
|
|
D 1
|
|
1 0.4022360000E+00 0.1000000000E+01
|
|
D 1
|
|
1 0.1637530000E+00 0.1000000000E+01
|
|
D 1
|
|
1 0.6666495000E-01 0.1000000000E+01
|
|
F 1
|
|
1 0.9035460000E+00 0.1000000000E+01
|
|
F 1
|
|
1 0.3511300000E+00 0.1000000000E+01
|
|
F 1
|
|
1 0.1364537000E+00 0.1000000000E+01
|
|
G 1
|
|
1 0.6593841864E+00 0.1000000000E+01
|
|
|
|
CARBON
|
|
S 10
|
|
1 0.5321000255E+05 0.4884002264E-04
|
|
2 0.8674811738E+04 0.3633381789E-03
|
|
3 0.1890751347E+04 0.2072998296E-02
|
|
4 0.5173592990E+03 0.8867844044E-02
|
|
5 0.1679420210E+03 0.3050665650E-01
|
|
6 0.6152157600E+02 0.8753223687E-01
|
|
7 0.2435959400E+02 0.2034749775E+00
|
|
8 0.1005677200E+02 0.3602635861E+00
|
|
9 0.4207058000E+01 0.3587953301E+00
|
|
10 0.1746404000E+01 0.1026690291E+00
|
|
S 8
|
|
1 0.6152157600E+02 -0.7421242844E-03
|
|
2 0.2435959400E+02 -0.4776559847E-02
|
|
3 0.1005677200E+02 -0.2247130550E-01
|
|
4 0.4207058000E+01 -0.7565643714E-01
|
|
5 0.1746404000E+01 -0.3698587586E-01
|
|
6 0.7100980000E+00 0.2957934714E+00
|
|
7 0.2814640000E+00 0.5633147911E+00
|
|
8 0.1091590000E+00 0.2671571578E+00
|
|
S 1
|
|
1 0.9469190000E+00 0.1000000000E+01
|
|
S 1
|
|
1 0.3437670000E+00 0.1000000000E+01
|
|
S 1
|
|
1 0.1248000000E+00 0.1000000000E+01
|
|
S 1
|
|
1 0.4668285977E-01 0.1000000000E+01
|
|
P 7
|
|
1 0.6137917500E+02 0.2082239219E-02
|
|
2 0.1438752300E+02 0.1535184509E-01
|
|
3 0.4411430000E+01 0.6540786687E-01
|
|
4 0.1569457000E+01 0.1938140629E+00
|
|
5 0.5966500000E+00 0.3694066909E+00
|
|
6 0.2296720000E+00 0.4141804258E+00
|
|
7 0.8650700000E-01 0.1818035739E+00
|
|
P 1
|
|
1 0.9852800000E+00 0.1000000000E+01
|
|
P 1
|
|
1 0.3423890000E+00 0.1000000000E+01
|
|
P 1
|
|
1 0.1189810000E+00 0.1000000000E+01
|
|
P 1
|
|
1 0.3693662747E-01 0.1000000000E+01
|
|
D 1
|
|
1 0.1663326000E+01 0.1000000000E+01
|
|
D 1
|
|
1 0.6383480000E+00 0.1000000000E+01
|
|
D 1
|
|
1 0.2449840000E+00 0.1000000000E+01
|
|
D 1
|
|
1 0.9401950000E-01 0.1000000000E+01
|
|
F 1
|
|
1 0.1398241000E+01 0.1000000000E+01
|
|
F 1
|
|
1 0.5120790000E+00 0.1000000000E+01
|
|
F 1
|
|
1 0.1875391000E+00 0.1000000000E+01
|
|
G 1
|
|
1 0.1005411886E+01 0.1000000000E+01
|
|
|
|
NITROGEN
|
|
S 11
|
|
1 0.7317497661E+05 0.4856461675E-04
|
|
2 0.1193407013E+05 0.3609583110E-03
|
|
3 0.2602648496E+04 0.2058576136E-02
|
|
4 0.7124698700E+03 0.8801645017E-02
|
|
5 0.2313619840E+03 0.3030894640E-01
|
|
6 0.8480260700E+02 0.8708089940E-01
|
|
7 0.3361564500E+02 0.2034333929E+00
|
|
8 0.1390457000E+02 0.3606635800E+00
|
|
9 0.5831916000E+01 0.3582358173E+00
|
|
10 0.2427620000E+01 0.1018925770E+00
|
|
11 0.9887980000E+00 0.1341480157E-02
|
|
S 8
|
|
1 0.8480260700E+02 -0.7960361476E-03
|
|
2 0.3361564500E+02 -0.5085923493E-02
|
|
3 0.1390457000E+02 -0.2420496232E-01
|
|
4 0.5831916000E+01 -0.7752992657E-01
|
|
5 0.2427620000E+01 -0.2836921836E-01
|
|
6 0.9887980000E+00 0.3095777955E+00
|
|
7 0.3914140000E+00 0.5564409398E+00
|
|
8 0.1506800000E+00 0.2578480596E+00
|
|
S 1
|
|
1 0.1316242000E+01 0.1000000000E+01
|
|
S 1
|
|
1 0.4650760000E+00 0.1000000000E+01
|
|
S 1
|
|
1 0.1643280000E+00 0.1000000000E+01
|
|
S 1
|
|
1 0.5943866415E-01 0.1000000000E+01
|
|
P 9
|
|
1 0.2510009330E+03 0.3498335891E-03
|
|
2 0.5996018100E+02 0.2965929891E-02
|
|
3 0.1902011100E+02 0.1483951801E-01
|
|
4 0.7103274000E+01 0.5125134102E-01
|
|
5 0.2894976000E+01 0.1404685421E+00
|
|
6 0.1231489000E+01 0.2758605351E+00
|
|
7 0.5325820000E+00 0.3660596351E+00
|
|
8 0.2292430000E+00 0.3020597611E+00
|
|
9 0.9538000000E-01 0.9497817244E-01
|
|
P 1
|
|
1 0.1378004000E+01 0.1000000000E+01
|
|
P 1
|
|
1 0.4696770000E+00 0.1000000000E+01
|
|
P 1
|
|
1 0.1600840000E+00 0.1000000000E+01
|
|
P 1
|
|
1 0.6496452654E-01 0.1000000000E+01
|
|
P 1
|
|
1 0.2520775695E-01 0.1000000000E+01
|
|
D 1
|
|
1 0.2571617000E+01 0.1000000000E+01
|
|
D 1
|
|
1 0.9528820000E+00 0.1000000000E+01
|
|
D 1
|
|
1 0.3530790000E+00 0.1000000000E+01
|
|
D 1
|
|
1 0.1308291000E+00 0.1000000000E+01
|
|
F 1
|
|
1 0.2008837000E+01 0.1000000000E+01
|
|
F 1
|
|
1 0.7084960000E+00 0.1000000000E+01
|
|
F 1
|
|
1 0.2498791000E+00 0.1000000000E+01
|
|
G 1
|
|
1 0.1422363092E+01 0.1000000000E+01
|
|
|
|
OXYGEN
|
|
S 11
|
|
1 0.9706749848E+05 0.4795350264E-04
|
|
2 0.1579555633E+05 0.3571551889E-03
|
|
3 0.3444498450E+04 0.2035925071E-02
|
|
4 0.9430166910E+03 0.8708331947E-02
|
|
5 0.3060947050E+03 0.3005055933E-01
|
|
6 0.1121030010E+03 0.8665200883E-01
|
|
7 0.4441192400E+02 0.2034503660E+00
|
|
8 0.1837746600E+02 0.3613601232E+00
|
|
9 0.7721786000E+01 0.3574572290E+00
|
|
10 0.3223820000E+01 0.1019001003E+00
|
|
11 0.1316815000E+01 0.1724633053E-02
|
|
S 8
|
|
1 0.1121030010E+03 -0.8368842321E-03
|
|
2 0.4441192400E+02 -0.5356553991E-02
|
|
3 0.1837746600E+02 -0.2568431247E-01
|
|
4 0.7721786000E+01 -0.7928806726E-01
|
|
5 0.3223820000E+01 -0.2206365737E-01
|
|
6 0.1316815000E+01 0.3224896889E+00
|
|
7 0.5212400000E+00 0.5524972610E+00
|
|
8 0.1991680000E+00 0.2471811986E+00
|
|
S 1
|
|
1 0.2457152000E+01 0.1000000000E+01
|
|
S 1
|
|
1 0.4642220000E+00 0.1000000000E+01
|
|
S 1
|
|
1 0.2072640000E+00 0.1000000000E+01
|
|
S 1
|
|
1 0.6546276816E-01 0.1000000000E+01
|
|
P 9
|
|
1 0.3188766660E+03 0.3889188940E-03
|
|
2 0.7618409200E+02 0.3304831440E-02
|
|
3 0.2417954800E+02 0.1660357560E-01
|
|
4 0.9054401000E+01 0.5757214580E-01
|
|
5 0.3698468000E+01 0.1535959180E+00
|
|
6 0.1569021000E+01 0.2848669760E+00
|
|
7 0.6706260000E+00 0.3589714450E+00
|
|
8 0.2823690000E+00 0.2922701260E+00
|
|
9 0.1141950000E+00 0.9551851481E-01
|
|
P 1
|
|
1 0.1543121000E+01 0.1000000000E+01
|
|
P 1
|
|
1 0.5723080000E+00 0.1000000000E+01
|
|
P 1
|
|
1 0.1792830000E+00 0.1000000000E+01
|
|
P 1
|
|
1 0.5836558298E-01 0.1000000000E+01
|
|
D 1
|
|
1 0.3855903000E+01 0.1000000000E+01
|
|
D 1
|
|
1 0.1397314000E+01 0.1000000000E+01
|
|
D 1
|
|
1 0.4874700000E+00 0.1000000000E+01
|
|
D 1
|
|
1 0.1700590000E+00 0.1000000000E+01
|
|
F 1
|
|
1 0.2625669000E+01 0.1000000000E+01
|
|
F 1
|
|
1 0.8680950000E+00 0.1000000000E+01
|
|
F 1
|
|
1 0.2870090000E+00 0.1000000000E+01
|
|
G 1
|
|
1 0.1897665690E+01 0.1000000000E+01
|
|
|
|
FLUORINE
|
|
S 11
|
|
1 0.1233817357E+06 0.4794106756E-04
|
|
2 0.2004700895E+05 0.3574357115E-03
|
|
3 0.4374449358E+04 0.2034185189E-02
|
|
4 0.1198975145E+04 0.8688731840E-02
|
|
5 0.3895123770E+03 0.2997667637E-01
|
|
6 0.1427239930E+03 0.8654223680E-01
|
|
7 0.5656689200E+02 0.2037373799E+00
|
|
8 0.2342515200E+02 0.3620639196E+00
|
|
9 0.9856399000E+01 0.3564687377E+00
|
|
10 0.4122705000E+01 0.1014812364E+00
|
|
11 0.1686528000E+01 0.2026396523E-02
|
|
S 8
|
|
1 0.1427239930E+03 -0.8719545560E-03
|
|
2 0.5656689200E+02 -0.5578902547E-02
|
|
3 0.2342515200E+02 -0.2685217972E-01
|
|
4 0.9856399000E+01 -0.8043074509E-01
|
|
5 0.4122705000E+01 -0.1658678894E-01
|
|
6 0.1686528000E+01 0.3315667403E+00
|
|
7 0.6671670000E+00 0.5488811313E+00
|
|
8 0.2534570000E+00 0.2398528739E+00
|
|
S 1
|
|
1 0.3201723000E+01 0.1000000000E+01
|
|
S 1
|
|
1 0.6253790000E+00 0.1000000000E+01
|
|
S 1
|
|
1 0.2776570000E+00 0.1000000000E+01
|
|
S 1
|
|
1 0.8594217023E-01 0.1000000000E+01
|
|
P 10
|
|
1 0.6536236370E+03 0.1758649370E-03
|
|
2 0.1572352050E+03 0.1531382396E-02
|
|
3 0.5004801800E+02 0.8288216984E-02
|
|
4 0.1893013600E+02 0.3066643433E-01
|
|
5 0.7898108000E+01 0.8908788626E-01
|
|
6 0.3461206000E+01 0.1957844504E+00
|
|
7 0.1544407000E+01 0.3016595994E+00
|
|
8 0.6872020000E+00 0.3320294649E+00
|
|
9 0.2994470000E+00 0.2416659381E+00
|
|
10 0.1248710000E+00 0.7012799361E-01
|
|
P 1
|
|
1 0.1980808000E+01 0.1000000000E+01
|
|
P 1
|
|
1 0.7303660000E+00 0.1000000000E+01
|
|
P 1
|
|
1 0.2251120000E+00 0.1000000000E+01
|
|
P 1
|
|
1 0.7468911913E-01 0.1000000000E+01
|
|
D 1
|
|
1 0.5077414000E+01 0.1000000000E+01
|
|
D 1
|
|
1 0.1802380000E+01 0.1000000000E+01
|
|
D 1
|
|
1 0.6185010000E+00 0.1000000000E+01
|
|
D 1
|
|
1 0.2122430000E+00 0.1000000000E+01
|
|
F 1
|
|
1 0.3545553000E+01 0.1000000000E+01
|
|
F 1
|
|
1 0.1169423000E+01 0.1000000000E+01
|
|
F 1
|
|
1 0.3545553000E+00 0.1000000000E+01
|
|
G 1
|
|
1 0.2452479367E+01 0.1000000000E+01
|
|
|
|
NEON
|
|
S 11
|
|
1 0.1235478124E+06 0.5520645499E-04
|
|
2 0.2479832373E+05 0.3433248292E-03
|
|
3 0.5413657248E+04 0.2047096482E-02
|
|
4 0.1484446927E+04 0.8669998853E-02
|
|
5 0.4823703090E+03 0.2998876590E-01
|
|
6 0.1767757490E+03 0.8658184781E-01
|
|
7 0.7008375100E+02 0.2042454025E+00
|
|
8 0.2904204600E+02 0.3627705810E+00
|
|
9 0.1223335700E+02 0.3553909445E+00
|
|
10 0.5123786000E+01 0.1008337594E+00
|
|
11 0.2097977000E+01 0.2275278437E-02
|
|
S 8
|
|
1 0.1767757490E+03 -0.9017788142E-03
|
|
2 0.7008375100E+02 -0.5768672443E-02
|
|
3 0.2904204600E+02 -0.2781521981E-01
|
|
4 0.1223335700E+02 -0.8120897159E-01
|
|
5 0.5123786000E+01 -0.1182944400E-01
|
|
6 0.2097977000E+01 0.3382955685E+00
|
|
7 0.8293270000E+00 0.5455520280E+00
|
|
8 0.3137080000E+00 0.2346139980E+00
|
|
S 1
|
|
1 0.3601004000E+01 0.1000000000E+01
|
|
S 1
|
|
1 0.1328657000E+01 0.1000000000E+01
|
|
S 1
|
|
1 0.4902330000E+00 0.1000000000E+01
|
|
S 1
|
|
1 0.1186634400E+00 0.1000000000E+01
|
|
P 10
|
|
1 0.8127244140E+03 0.1805580500E-03
|
|
2 0.1952656170E+03 0.1578433450E-02
|
|
3 0.6211553400E+02 0.8590369750E-02
|
|
4 0.2350341600E+02 0.3200873520E-01
|
|
5 0.9814896000E+01 0.9278710370E-01
|
|
6 0.4302943000E+01 0.2007547000E+00
|
|
7 0.1917503000E+01 0.3035969500E+00
|
|
8 0.8496830000E+00 0.3288371650E+00
|
|
9 0.3673780000E+00 0.2374914480E+00
|
|
10 0.1514410000E+00 0.6965044510E-01
|
|
P 1
|
|
1 0.2816427000E+01 0.1000000000E+01
|
|
P 1
|
|
1 0.9449300000E+00 0.1000000000E+01
|
|
P 1
|
|
1 0.3170300000E+00 0.1000000000E+01
|
|
P 1
|
|
1 0.6242719100E-01 0.1000000000E+01
|
|
D 1
|
|
1 0.6372646000E+01 0.1000000000E+01
|
|
D 1
|
|
1 0.2198731000E+01 0.1000000000E+01
|
|
D 1
|
|
1 0.7586210000E+00 0.1000000000E+01
|
|
D 1
|
|
1 0.2617440000E+00 0.1000000000E+01
|
|
F 1
|
|
1 0.4653095000E+01 0.1000000000E+01
|
|
F 1
|
|
1 0.1546114000E+01 0.1000000000E+01
|
|
F 1
|
|
1 0.5137373000E+00 0.1000000000E+01
|
|
G 1
|
|
1 0.3094335796E+01 0.1000000000E+01
|
|
|
|
SODIUM
|
|
S 12
|
|
1 0.2263067720E+06 0.3712445114E-04
|
|
2 0.3717315036E+05 0.2731091605E-03
|
|
3 0.8137276310E+04 0.1557356037E-02
|
|
4 0.2224332844E+04 0.6712639366E-02
|
|
5 0.7183848720E+03 0.2358279208E-01
|
|
6 0.2616694840E+03 0.6977738791E-01
|
|
7 0.1034305890E+03 0.1713983394E+00
|
|
8 0.4299221100E+02 0.3262046662E+00
|
|
9 0.1832429000E+02 0.3808130682E+00
|
|
10 0.7851333000E+01 0.1622871752E+00
|
|
11 0.3330234000E+01 0.8784781738E-02
|
|
12 0.1382087000E+01 0.2804669108E-02
|
|
S 10
|
|
1 0.7183848720E+03 -0.8861557990E-04
|
|
2 0.2616694840E+03 -0.6443222851E-03
|
|
3 0.1034305890E+03 -0.4652938293E-02
|
|
4 0.4299221100E+02 -0.2143321893E-01
|
|
5 0.1832429000E+02 -0.7195775820E-01
|
|
6 0.7851333000E+01 -0.5675564160E-01
|
|
7 0.3330234000E+01 0.2289286176E+00
|
|
8 0.1382087000E+01 0.5471158646E+00
|
|
9 0.5562120000E+00 0.3409029588E+00
|
|
10 0.2155410000E+00 0.1834508205E-01
|
|
S 6
|
|
1 0.3330234000E+01 -0.1851053472E-02
|
|
2 0.1382087000E+01 -0.1970883116E-01
|
|
3 0.5562120000E+00 -0.8536147082E-01
|
|
4 0.2155410000E+00 -0.9735134784E-01
|
|
5 0.7994500000E-01 0.4781597132E+00
|
|
6 0.2821600000E-01 0.6646718169E+00
|
|
S 1
|
|
1 0.6316960000E+00 0.1000000000E+01
|
|
S 1
|
|
1 0.2521540000E+00 0.1000000000E+01
|
|
S 1
|
|
1 0.1006530000E+00 0.1000000000E+01
|
|
S 1
|
|
1 0.7499410852E-02 0.1000000000E+01
|
|
P 10
|
|
1 0.4799427330E+03 0.6814406224E-03
|
|
2 0.1159780060E+03 0.5716748293E-02
|
|
3 0.3646057000E+02 0.2895443132E-01
|
|
4 0.1355173700E+02 0.9763732369E-01
|
|
5 0.5514755000E+01 0.2278724591E+00
|
|
6 0.2316121000E+01 0.3520174992E+00
|
|
7 0.9622460000E+00 0.3610233762E+00
|
|
8 0.3850020000E+00 0.1683089751E+00
|
|
9 0.1465430000E+00 0.1035406531E-01
|
|
10 0.5312600000E-01 0.1175453461E-02
|
|
P 7
|
|
1 0.5514755000E+01 -0.5583386535E-03
|
|
2 0.2316121000E+01 -0.5796920099E-03
|
|
3 0.9622460000E+00 -0.4029925962E-02
|
|
4 0.3850020000E+00 -0.8292384367E-02
|
|
5 0.1465430000E+00 0.6743739540E-01
|
|
6 0.5312600000E-01 0.4738562945E+00
|
|
7 0.1859400000E-01 0.5654746980E+00
|
|
P 1
|
|
1 0.3388950000E+00 0.1000000000E+01
|
|
P 1
|
|
1 0.1346130000E+00 0.1000000000E+01
|
|
P 1
|
|
1 0.5347000000E-01 0.1000000000E+01
|
|
P 1
|
|
1 0.6507865000E-02 0.1000000000E+01
|
|
D 1
|
|
1 0.1847639700E+01 0.1000000000E+01
|
|
D 1
|
|
1 0.4759510000E+00 0.1000000000E+01
|
|
D 1
|
|
1 0.1843680000E+00 0.1000000000E+01
|
|
D 1
|
|
1 0.7141800000E-01 0.1000000000E+01
|
|
D 1
|
|
1 0.2766490000E-01 0.1000000000E+01
|
|
F 1
|
|
1 0.1920240000E+00 0.1000000000E+01
|
|
F 1
|
|
1 0.9998000000E-01 0.1000000000E+01
|
|
F 1
|
|
1 0.5205500000E-01 0.1000000000E+01
|
|
G 1
|
|
1 0.1693086812E+00 0.1000000000E+01
|
|
|
|
MAGNESIUM
|
|
S 12
|
|
1 0.2718123620E+06 0.3690607391E-04
|
|
2 0.4437240160E+05 0.2731639678E-03
|
|
3 0.9713753860E+04 0.1553049395E-02
|
|
4 0.2661338440E+04 0.6671018965E-02
|
|
5 0.8612783520E+03 0.2339939407E-01
|
|
6 0.3139170790E+03 0.6937396054E-01
|
|
7 0.1239769150E+03 0.1711626073E+00
|
|
8 0.5145166500E+02 0.3271083660E+00
|
|
9 0.2191006700E+02 0.3809533798E+00
|
|
10 0.9402084000E+01 0.1616230568E+00
|
|
11 0.4011544000E+01 0.8905727993E-02
|
|
12 0.1685079000E+01 0.2973052540E-02
|
|
S 10
|
|
1 0.3139170790E+03 -0.6455749943E-03
|
|
2 0.1239769150E+03 -0.4412734160E-02
|
|
3 0.5145166500E+02 -0.2219245622E-01
|
|
4 0.2191006700E+02 -0.7405148432E-01
|
|
5 0.9402084000E+01 -0.5691301489E-01
|
|
6 0.4011544000E+01 0.2423780270E+00
|
|
7 0.1685079000E+01 0.5653730105E+00
|
|
8 0.6917210000E+00 0.3153219723E+00
|
|
9 0.2758120000E+00 0.5519162994E-02
|
|
10 0.1062050000E+00 0.5937967570E-02
|
|
S 6
|
|
1 0.4011544000E+01 -0.2733033424E-02
|
|
2 0.1685079000E+01 -0.3517190852E-01
|
|
3 0.6917210000E+00 -0.1360311163E+00
|
|
4 0.2758120000E+00 0.3507535872E-01
|
|
5 0.1062050000E+00 0.5962676817E+00
|
|
6 0.3923300000E-01 0.4862287425E+00
|
|
S 1
|
|
1 0.6449870000E+00 0.1000000000E+01
|
|
S 1
|
|
1 0.2780490000E+00 0.1000000000E+01
|
|
S 1
|
|
1 0.1198650000E+00 0.1000000000E+01
|
|
S 1
|
|
1 0.1449299300E-01 0.1000000000E+01
|
|
P 10
|
|
1 0.6880643270E+03 0.5317357273E-03
|
|
2 0.1665345040E+03 0.4516965833E-02
|
|
3 0.5257145100E+02 0.2353132401E-01
|
|
4 0.1965052900E+02 0.8233066959E-01
|
|
5 0.8077298000E+01 0.2041669935E+00
|
|
6 0.3457216000E+01 0.3387246911E+00
|
|
7 0.1482516000E+01 0.3730158853E+00
|
|
8 0.6205870000E+00 0.1932715552E+00
|
|
9 0.2493780000E+00 0.1863567835E-01
|
|
10 0.9515400000E-01 0.2077137591E-02
|
|
P 6
|
|
1 0.3457216000E+01 -0.1919676332E-02
|
|
2 0.1482516000E+01 -0.4867528778E-02
|
|
3 0.6205870000E+00 -0.9436775481E-02
|
|
4 0.2493780000E+00 0.1396171975E+00
|
|
5 0.9515400000E-01 0.5425500746E+00
|
|
6 0.3418500000E-01 0.4376518159E+00
|
|
P 1
|
|
1 0.5861880000E+00 0.1000000000E+01
|
|
P 1
|
|
1 0.2507430000E+00 0.1000000000E+01
|
|
P 1
|
|
1 0.1072560000E+00 0.1000000000E+01
|
|
P 1
|
|
1 0.1228129400E-01 0.1000000000E+01
|
|
D 1
|
|
1 0.1527575100E+01 0.1000000000E+01
|
|
D 1
|
|
1 0.3332210000E+00 0.1000000000E+01
|
|
D 1
|
|
1 0.1804770000E+00 0.1000000000E+01
|
|
D 1
|
|
1 0.9774900000E-01 0.1000000000E+01
|
|
D 1
|
|
1 0.5294200000E-01 0.1000000000E+01
|
|
F 1
|
|
1 0.3241890000E+00 0.1000000000E+01
|
|
F 1
|
|
1 0.1552780000E+00 0.1000000000E+01
|
|
F 1
|
|
1 0.7437410000E-01 0.1000000000E+01
|
|
G 1
|
|
1 0.2616960553E+00 0.1000000000E+01
|
|
|
|
ALUMINIUM
|
|
S 12
|
|
1 0.3526715345E+06 0.3268613961E-04
|
|
2 0.5743120313E+05 0.2421789737E-03
|
|
3 0.1259361370E+05 0.1372818959E-02
|
|
4 0.3456859553E+04 0.5890078131E-02
|
|
5 0.1119190778E+04 0.2075336655E-01
|
|
6 0.4075133070E+03 0.6211868818E-01
|
|
7 0.1607626650E+03 0.1562622757E+00
|
|
8 0.6677209000E+02 0.3080603845E+00
|
|
9 0.2857630000E+02 0.3861219102E+00
|
|
10 0.1240027700E+02 0.1933891747E+00
|
|
11 0.5389724000E+01 0.1639926481E-01
|
|
12 0.2323235000E+01 0.2799625498E-02
|
|
S 10
|
|
1 0.1119190778E+04 -0.7627822383E-04
|
|
2 0.4075133070E+03 -0.5660158932E-03
|
|
3 0.1607626650E+03 -0.4184990372E-02
|
|
4 0.6677209000E+02 -0.1993458933E-01
|
|
5 0.2857630000E+02 -0.6984385412E-01
|
|
6 0.1240027700E+02 -0.7264574308E-01
|
|
7 0.5389724000E+01 0.1887241819E+00
|
|
8 0.2323235000E+01 0.5555854146E+00
|
|
9 0.9839730000E+00 0.3679970250E+00
|
|
10 0.4053250000E+00 0.2185729514E-01
|
|
S 6
|
|
1 0.5389724000E+01 -0.2034289668E-02
|
|
2 0.2323235000E+01 -0.3885141593E-01
|
|
3 0.9839730000E+00 -0.1610266206E+00
|
|
4 0.4053250000E+00 0.6155261435E-01
|
|
5 0.1603310000E+00 0.6393626157E+00
|
|
6 0.5988200000E-01 0.4365793426E+00
|
|
S 1
|
|
1 0.9161560000E+00 0.1000000000E+01
|
|
S 1
|
|
1 0.3989430000E+00 0.1000000000E+01
|
|
S 1
|
|
1 0.1737210000E+00 0.1000000000E+01
|
|
S 1
|
|
1 0.2107668768E-01 0.1000000000E+01
|
|
P 10
|
|
1 0.1307221140E+04 0.2422305408E-03
|
|
2 0.3206388010E+03 0.2086035230E-02
|
|
3 0.1012002520E+03 0.1172533488E-01
|
|
4 0.3795009900E+02 0.4448405261E-01
|
|
5 0.1585528800E+02 0.1260760339E+00
|
|
6 0.7016042000E+01 0.2552442378E+00
|
|
7 0.3163901000E+01 0.3621421867E+00
|
|
8 0.1413569000E+01 0.3195893342E+00
|
|
9 0.6136010000E+00 0.1033816363E+00
|
|
10 0.2555460000E+00 0.4313676383E-02
|
|
P 7
|
|
1 0.7016042000E+01 -0.1927138823E-02
|
|
2 0.3163901000E+01 -0.2669463151E-02
|
|
3 0.1413569000E+01 -0.1204584741E-01
|
|
4 0.6136010000E+00 0.3600794864E-01
|
|
5 0.2555460000E+00 0.2659975037E+00
|
|
6 0.1013670000E+00 0.5221792715E+00
|
|
7 0.3815600000E-01 0.3182720404E+00
|
|
P 1
|
|
1 0.8648550000E+00 0.1000000000E+01
|
|
P 1
|
|
1 0.3668550000E+00 0.1000000000E+01
|
|
P 1
|
|
1 0.1556130000E+00 0.1000000000E+01
|
|
P 1
|
|
1 0.1446090910E-01 0.1000000000E+01
|
|
D 1
|
|
1 0.1940856048E+01 0.1000000000E+01
|
|
D 1
|
|
1 0.4186450000E+00 0.1000000000E+01
|
|
D 1
|
|
1 0.1936030000E+00 0.1000000000E+01
|
|
D 1
|
|
1 0.8953200000E-01 0.1000000000E+01
|
|
D 1
|
|
1 0.4140420000E-01 0.1000000000E+01
|
|
F 1
|
|
1 0.4369610000E+00 0.1000000000E+01
|
|
F 1
|
|
1 0.1926080000E+00 0.1000000000E+01
|
|
F 1
|
|
1 0.8489960000E-01 0.1000000000E+01
|
|
G 1
|
|
1 0.3565404810E+00 0.1000000000E+01
|
|
|
|
SILICON
|
|
S 12
|
|
1 0.4380435263E+06 0.3009837318E-04
|
|
2 0.7117731352E+05 0.2233908429E-03
|
|
3 0.1561379834E+05 0.1264943516E-02
|
|
4 0.4289108408E+04 0.5425287236E-02
|
|
5 0.1388861923E+04 0.1916524111E-01
|
|
6 0.5054820770E+03 0.5768096670E-01
|
|
7 0.1993392200E+03 0.1468033701E+00
|
|
8 0.8286211200E+02 0.2951306454E+00
|
|
9 0.3557684200E+02 0.3869526199E+00
|
|
10 0.1554248600E+02 0.2144353273E+00
|
|
11 0.6829927000E+01 0.2324691412E-01
|
|
12 0.2989151000E+01 0.2605220735E-02
|
|
S 10
|
|
1 0.1388861923E+04 -0.6825108658E-04
|
|
2 0.5054820770E+03 -0.5094572584E-03
|
|
3 0.1993392200E+03 -0.3814682059E-02
|
|
4 0.8286211200E+02 -0.1844876236E-01
|
|
5 0.3557684200E+02 -0.6665365674E-01
|
|
6 0.1554248600E+02 -0.8100660677E-01
|
|
7 0.6829927000E+01 0.1571272713E+00
|
|
8 0.2989151000E+01 0.5476413147E+00
|
|
9 0.1289699000E+01 0.3978631668E+00
|
|
10 0.5418440000E+00 0.3071734390E-01
|
|
S 6
|
|
1 0.6829927000E+01 -0.1288481398E-02
|
|
2 0.2989151000E+01 -0.4322549296E-01
|
|
3 0.1289699000E+01 -0.1763430154E+00
|
|
4 0.5418440000E+00 0.8522411589E-01
|
|
5 0.2180680000E+00 0.6552684621E+00
|
|
6 0.8221800000E-01 0.4113957891E+00
|
|
S 1
|
|
1 0.1201446000E+01 0.1000000000E+01
|
|
S 1
|
|
1 0.5157970000E+00 0.1000000000E+01
|
|
S 1
|
|
1 0.2214390000E+00 0.1000000000E+01
|
|
S 1
|
|
1 0.3169890881E-01 0.1000000000E+01
|
|
P 10
|
|
1 0.1609972756E+04 0.2294989854E-03
|
|
2 0.3946274020E+03 0.1982201070E-02
|
|
3 0.1246190380E+03 0.1123247137E-01
|
|
4 0.4680196100E+02 0.4304350850E-01
|
|
5 0.1960665200E+02 0.1235305006E+00
|
|
6 0.8715913000E+01 0.2539487051E+00
|
|
7 0.3959551000E+01 0.3660887831E+00
|
|
8 0.1788994000E+01 0.3193697035E+00
|
|
9 0.7891710000E+00 0.9832771513E-01
|
|
10 0.3359510000E+00 0.3952033150E-02
|
|
P 7
|
|
1 0.8715913000E+01 -0.2577095792E-02
|
|
2 0.3959551000E+01 -0.4109842517E-02
|
|
3 0.1788994000E+01 -0.1356792916E-01
|
|
4 0.7891710000E+00 0.6041872906E-01
|
|
5 0.3359510000E+00 0.3244164845E+00
|
|
6 0.1371030000E+00 0.5094090481E+00
|
|
7 0.5345700000E-01 0.2488212156E+00
|
|
P 1
|
|
1 0.1163654000E+01 0.1000000000E+01
|
|
P 1
|
|
1 0.4989480000E+00 0.1000000000E+01
|
|
P 1
|
|
1 0.2139370000E+00 0.1000000000E+01
|
|
P 1
|
|
1 0.2554727575E-01 0.1000000000E+01
|
|
D 1
|
|
1 0.2503242837E+01 0.1000000000E+01
|
|
D 1
|
|
1 0.5801340000E+00 0.1000000000E+01
|
|
D 1
|
|
1 0.2623230000E+00 0.1000000000E+01
|
|
D 1
|
|
1 0.1186170000E+00 0.1000000000E+01
|
|
D 1
|
|
1 0.5363610000E-01 0.1000000000E+01
|
|
F 1
|
|
1 0.5745350000E+00 0.1000000000E+01
|
|
F 1
|
|
1 0.2449140000E+00 0.1000000000E+01
|
|
F 1
|
|
1 0.1044020000E+00 0.1000000000E+01
|
|
G 1
|
|
1 0.4751171933E+00 0.1000000000E+01
|
|
|
|
PHOSPHORUS
|
|
S 12
|
|
1 0.5283894546E+06 0.2833942980E-04
|
|
2 0.8589055866E+05 0.2101127631E-03
|
|
3 0.1885848876E+05 0.1188621513E-02
|
|
4 0.5183041449E+04 0.5098563672E-02
|
|
5 0.1678043254E+04 0.1805252492E-01
|
|
6 0.6103565170E+03 0.5456559743E-01
|
|
7 0.2405819300E+03 0.1400592439E+00
|
|
8 0.1000490390E+03 0.2855905564E+00
|
|
9 0.4304851100E+02 0.3863807451E+00
|
|
10 0.1889276300E+02 0.2296496473E+00
|
|
11 0.8363973000E+01 0.2928242593E-01
|
|
12 0.3698340000E+01 0.2456842384E-02
|
|
S 10
|
|
1 0.1678043254E+04 -0.6301163930E-04
|
|
2 0.6103565170E+03 -0.4725651145E-03
|
|
3 0.2405819300E+03 -0.3572857788E-02
|
|
4 0.1000490390E+03 -0.1748308615E-01
|
|
5 0.4304851100E+02 -0.6450768815E-01
|
|
6 0.1889276300E+02 -0.8630029844E-01
|
|
7 0.8363973000E+01 0.1357068391E+00
|
|
8 0.3698340000E+01 0.5429016755E+00
|
|
9 0.1615860000E+01 0.4164183428E+00
|
|
10 0.6881390000E+00 0.3700063935E-01
|
|
S 6
|
|
1 0.8363973000E+01 -0.5751933583E-03
|
|
2 0.3698340000E+01 -0.4773078277E-01
|
|
3 0.1615860000E+01 -0.1866895469E+00
|
|
4 0.6881390000E+00 0.1058237810E+00
|
|
5 0.2803900000E+00 0.6624461665E+00
|
|
6 0.1065580000E+00 0.3947484489E+00
|
|
S 1
|
|
1 0.1591505000E+01 0.1000000000E+01
|
|
S 1
|
|
1 0.6757450000E+00 0.1000000000E+01
|
|
S 1
|
|
1 0.2869180000E+00 0.1000000000E+01
|
|
S 1
|
|
1 0.3933227462E-01 0.1000000000E+01
|
|
P 10
|
|
1 0.1933646457E+04 0.2213735820E-03
|
|
2 0.4736095320E+03 0.1915716192E-02
|
|
3 0.1496894860E+03 0.1091037760E-01
|
|
4 0.5630122600E+02 0.4212755018E-01
|
|
5 0.2363905400E+02 0.1220274687E+00
|
|
6 0.1054857000E+02 0.2535209108E+00
|
|
7 0.4823289000E+01 0.3690763936E+00
|
|
8 0.2201492000E+01 0.3178571806E+00
|
|
9 0.9851220000E+00 0.9436970181E-01
|
|
10 0.4269800000E+00 0.3923938815E-02
|
|
P 7
|
|
1 0.1054857000E+02 -0.3153945078E-02
|
|
2 0.4823289000E+01 -0.5434511495E-02
|
|
3 0.2201492000E+01 -0.1401367237E-01
|
|
4 0.9851220000E+00 0.8136633400E-01
|
|
5 0.4269800000E+00 0.3574295919E+00
|
|
6 0.1777540000E+00 0.4916867603E+00
|
|
7 0.7058500000E-01 0.2125956804E+00
|
|
P 1
|
|
1 0.1644660000E+01 0.1000000000E+01
|
|
P 1
|
|
1 0.6963170000E+00 0.1000000000E+01
|
|
P 1
|
|
1 0.2948070000E+00 0.1000000000E+01
|
|
P 1
|
|
1 0.3500997504E-01 0.1000000000E+01
|
|
D 1
|
|
1 0.3259664503E+01 0.1000000000E+01
|
|
D 1
|
|
1 0.7771180000E+00 0.1000000000E+01
|
|
D 1
|
|
1 0.3477410000E+00 0.1000000000E+01
|
|
D 1
|
|
1 0.1556050000E+00 0.1000000000E+01
|
|
D 1
|
|
1 0.6962910000E-01 0.1000000000E+01
|
|
F 1
|
|
1 0.7346810000E+00 0.1000000000E+01
|
|
F 1
|
|
1 0.3087810000E+00 0.1000000000E+01
|
|
F 1
|
|
1 0.1297780000E+00 0.1000000000E+01
|
|
G 1
|
|
1 0.6110290712E+00 0.1000000000E+01
|
|
|
|
SULFUR
|
|
S 12
|
|
1 0.6236880976E+06 0.2713024062E-04
|
|
2 0.1012381834E+06 0.2013661789E-03
|
|
3 0.2223608599E+05 0.1138046935E-02
|
|
4 0.6114920968E+04 0.4879924434E-02
|
|
5 0.1979949746E+04 0.1730268565E-01
|
|
6 0.7198369810E+03 0.5247479684E-01
|
|
7 0.2835520670E+03 0.1355605141E+00
|
|
8 0.1178992210E+03 0.2792511221E+00
|
|
9 0.5078444000E+02 0.3855428472E+00
|
|
10 0.2235621100E+02 0.2396351017E+00
|
|
11 0.9951907000E+01 0.3384062615E-01
|
|
12 0.4435851000E+01 0.2378546227E-02
|
|
S 10
|
|
1 0.1979949746E+04 -0.5975376516E-04
|
|
2 0.7198369810E+03 -0.4506748999E-03
|
|
3 0.2835520670E+03 -0.3430362679E-02
|
|
4 0.1178992210E+03 -0.1695793694E-01
|
|
5 0.5078444000E+02 -0.6338933424E-01
|
|
6 0.2235621100E+02 -0.8973730565E-01
|
|
7 0.9951907000E+01 0.1226561209E+00
|
|
8 0.4435851000E+01 0.5414218421E+00
|
|
9 0.1957511000E+01 0.4262060100E+00
|
|
10 0.8425510000E+00 0.4072103351E-01
|
|
S 6
|
|
1 0.9951907000E+01 0.3328373673E-05
|
|
2 0.4435851000E+01 -0.5294632747E-01
|
|
3 0.1957511000E+01 -0.1957487408E+00
|
|
4 0.8425510000E+00 0.1301152397E+00
|
|
5 0.3464320000E+00 0.6710240266E+00
|
|
6 0.1322010000E+00 0.3733083088E+00
|
|
S 1
|
|
1 0.2098252000E+01 0.1000000000E+01
|
|
S 1
|
|
1 0.9081330000E+00 0.1000000000E+01
|
|
S 1
|
|
1 0.3930440000E+00 0.1000000000E+01
|
|
S 1
|
|
1 0.5006528091E-01 0.1000000000E+01
|
|
P 10
|
|
1 0.2200288005E+04 0.2284948511E-03
|
|
2 0.5409814670E+03 0.1971087052E-02
|
|
3 0.1708287270E+03 0.1129453840E-01
|
|
4 0.6417209900E+02 0.4380220289E-01
|
|
5 0.2696471300E+02 0.1265188267E+00
|
|
6 0.1207510800E+02 0.2603491846E+00
|
|
7 0.5553097000E+01 0.3747083257E+00
|
|
8 0.2551241000E+01 0.3076113026E+00
|
|
9 0.1147837000E+01 0.8193470990E-01
|
|
10 0.4986290000E+00 0.3009129070E-02
|
|
P 7
|
|
1 0.1207510800E+02 -0.3786820869E-02
|
|
2 0.5553097000E+01 -0.7029028272E-02
|
|
3 0.2551241000E+01 -0.1240635788E-01
|
|
4 0.1147837000E+01 0.1177650411E+00
|
|
5 0.4986290000E+00 0.3853141847E+00
|
|
6 0.2070200000E+00 0.4596770042E+00
|
|
7 0.8148300000E-01 0.1901077003E+00
|
|
P 1
|
|
1 0.1779961000E+01 0.1000000000E+01
|
|
P 1
|
|
1 0.7442550000E+00 0.1000000000E+01
|
|
P 1
|
|
1 0.3111960000E+00 0.1000000000E+01
|
|
P 1
|
|
1 0.4090391886E-01 0.1000000000E+01
|
|
D 1
|
|
1 0.3851470827E+01 0.1000000000E+01
|
|
D 1
|
|
1 0.1008554000E+01 0.1000000000E+01
|
|
D 1
|
|
1 0.4460480000E+00 0.1000000000E+01
|
|
D 1
|
|
1 0.1972710000E+00 0.1000000000E+01
|
|
D 1
|
|
1 0.8724580000E-01 0.1000000000E+01
|
|
F 1
|
|
1 0.8912440000E+00 0.1000000000E+01
|
|
F 1
|
|
1 0.3582670000E+00 0.1000000000E+01
|
|
F 1
|
|
1 0.1440180000E+00 0.1000000000E+01
|
|
G 1
|
|
1 0.7251745883E+00 0.1000000000E+01
|
|
|
|
CHLORINE
|
|
S 12
|
|
1 0.7237275005E+06 0.2626255539E-04
|
|
2 0.1173660658E+06 0.1950550684E-03
|
|
3 0.2578717863E+05 0.1101484570E-02
|
|
4 0.7095077690E+04 0.4721462407E-02
|
|
5 0.2297678453E+04 0.1675608523E-01
|
|
6 0.8351465810E+03 0.5093734450E-01
|
|
7 0.3288541720E+03 0.1322020597E+00
|
|
8 0.1367375030E+03 0.2744038709E+00
|
|
9 0.5895627300E+02 0.3845589217E+00
|
|
10 0.2601778300E+02 0.2471069596E+00
|
|
11 0.1163217800E+02 0.3760312273E-01
|
|
12 0.5217409000E+01 0.2334590439E-02
|
|
S 10
|
|
1 0.2297678453E+04 -0.5751982055E-04
|
|
2 0.8351465810E+03 -0.4361370429E-03
|
|
3 0.3288541720E+03 -0.3334035651E-02
|
|
4 0.1367375030E+03 -0.1661529521E-01
|
|
5 0.5895627300E+02 -0.6267029831E-01
|
|
6 0.2601778300E+02 -0.9232872878E-01
|
|
7 0.1163217800E+02 0.1133543300E+00
|
|
8 0.5217409000E+01 0.5414884909E+00
|
|
9 0.2320556000E+01 0.4320931603E+00
|
|
10 0.1007367000E+01 0.4331695573E-01
|
|
S 7
|
|
1 0.2601778300E+02 0.1373958326E-02
|
|
2 0.1163217800E+02 -0.1560925898E-02
|
|
3 0.5217409000E+01 -0.5966453263E-01
|
|
4 0.2320556000E+01 -0.2059619979E+00
|
|
5 0.1007367000E+01 0.1517651564E+00
|
|
6 0.4173680000E+00 0.6747165604E+00
|
|
7 0.1599610000E+00 0.3594242484E+00
|
|
S 1
|
|
1 0.2489669000E+01 0.1000000000E+01
|
|
S 1
|
|
1 0.1087839000E+01 0.1000000000E+01
|
|
S 1
|
|
1 0.4753220000E+00 0.1000000000E+01
|
|
S 1
|
|
1 0.6127496683E-01 0.1000000000E+01
|
|
P 10
|
|
1 0.2500752735E+04 0.2325903712E-03
|
|
2 0.6154216170E+03 0.2006177069E-02
|
|
3 0.1942826220E+03 0.1153572865E-01
|
|
4 0.7296605100E+02 0.4491006825E-01
|
|
5 0.3068407300E+02 0.1296838198E+00
|
|
6 0.1377450400E+02 0.2656966631E+00
|
|
7 0.6362590000E+01 0.3789010579E+00
|
|
8 0.2941322000E+01 0.2986459694E+00
|
|
9 0.1333098000E+01 0.7346641613E-01
|
|
10 0.5833500000E+00 0.2694662300E-02
|
|
P 8
|
|
1 0.3068407300E+02 -0.1159949287E-02
|
|
2 0.1377450400E+02 -0.4294785654E-02
|
|
3 0.6362590000E+01 -0.1135682155E-01
|
|
4 0.2941322000E+01 -0.9233992512E-02
|
|
5 0.1333098000E+01 0.1438708674E+00
|
|
6 0.5833500000E+00 0.4009432944E+00
|
|
7 0.2435180000E+00 0.4375086490E+00
|
|
8 0.9595700000E-01 0.1731938298E+00
|
|
P 1
|
|
1 0.2335912000E+01 0.1000000000E+01
|
|
P 1
|
|
1 0.9923410000E+00 0.1000000000E+01
|
|
P 1
|
|
1 0.4215660000E+00 0.1000000000E+01
|
|
P 1
|
|
1 0.5333174856E-01 0.1000000000E+01
|
|
D 1
|
|
1 0.4230541716E+01 0.1000000000E+01
|
|
D 1
|
|
1 0.1293743000E+01 0.1000000000E+01
|
|
D 1
|
|
1 0.5626000000E+00 0.1000000000E+01
|
|
D 1
|
|
1 0.2446530000E+00 0.1000000000E+01
|
|
D 1
|
|
1 0.1063900000E+00 0.1000000000E+01
|
|
F 1
|
|
1 0.1102184000E+01 0.1000000000E+01
|
|
F 1
|
|
1 0.4474670000E+00 0.1000000000E+01
|
|
F 1
|
|
1 0.1816630000E+00 0.1000000000E+01
|
|
G 1
|
|
1 0.8780666449E+00 0.1000000000E+01
|
|
|
|
ARGON
|
|
S 12
|
|
1 0.8129548846E+06 0.2623662783E-04
|
|
2 0.1318991440E+06 0.1944429469E-03
|
|
3 0.2906550781E+05 0.1092693774E-02
|
|
4 0.8025884724E+04 0.4660983056E-02
|
|
5 0.2607475919E+04 0.1648601259E-01
|
|
6 0.9500245140E+03 0.5004982387E-01
|
|
7 0.3746962270E+03 0.1300722126E+00
|
|
8 0.1559881550E+03 0.2711331825E+00
|
|
9 0.6734900000E+02 0.3835740655E+00
|
|
10 0.2978555900E+02 0.2518674611E+00
|
|
11 0.1336282900E+02 0.4023164246E-01
|
|
12 0.6024125000E+01 0.2316424816E-02
|
|
S 10
|
|
1 0.9500245140E+03 -0.4145436285E-03
|
|
2 0.3746962270E+03 -0.3000209895E-02
|
|
3 0.1559881550E+03 -0.1618108530E-01
|
|
4 0.6734900000E+02 -0.6155296139E-01
|
|
5 0.2978555900E+02 -0.9409255149E-01
|
|
6 0.1336282900E+02 0.1088779987E+00
|
|
7 0.6024125000E+01 0.5411656884E+00
|
|
8 0.2697155000E+01 0.4343897775E+00
|
|
9 0.1179786000E+01 0.4201585473E-01
|
|
10 0.4924210000E+00 0.5255667744E-02
|
|
S 8
|
|
1 0.6734900000E+02 0.5977052965E-03
|
|
2 0.2978555900E+02 0.1630644131E-02
|
|
3 0.1336282900E+02 -0.1265448477E-02
|
|
4 0.6024125000E+01 -0.7015734957E-01
|
|
5 0.2697155000E+01 -0.2120885301E+00
|
|
6 0.1179786000E+01 0.1701185886E+00
|
|
7 0.4924210000E+00 0.6771412101E+00
|
|
8 0.1897000000E+00 0.3480347613E+00
|
|
S 1
|
|
1 0.3162940000E+01 0.1000000000E+01
|
|
S 1
|
|
1 0.1432006000E+01 0.1000000000E+01
|
|
S 1
|
|
1 0.6483340000E+00 0.1000000000E+01
|
|
S 1
|
|
1 0.730799260E-01 0.1000000000E+01
|
|
P 10
|
|
1 0.2837786960E+04 0.2337074738E-03
|
|
2 0.6988486320E+03 0.2015725910E-02
|
|
3 0.2206358770E+03 0.1162501777E-01
|
|
4 0.8286306500E+02 0.4545944292E-01
|
|
5 0.3486580100E+02 0.1315335361E+00
|
|
6 0.1567943500E+02 0.2694336310E+00
|
|
7 0.7267494000E+01 0.3820483648E+00
|
|
8 0.3377562000E+01 0.2918786745E+00
|
|
9 0.1541537000E+01 0.6791433038E-01
|
|
10 0.6799020000E+00 0.2605490994E-02
|
|
P 8
|
|
1 0.3486580100E+02 -0.1318571276E-02
|
|
2 0.1567943500E+02 -0.4760150252E-02
|
|
3 0.7267494000E+01 -0.1319162208E-01
|
|
4 0.3377562000E+01 -0.5610643066E-02
|
|
5 0.1541537000E+01 0.1638796895E+00
|
|
6 0.6799020000E+00 0.4093948822E+00
|
|
7 0.2859230000E+00 0.4211663440E+00
|
|
8 0.1131910000E+00 0.1603136770E+00
|
|
P 1
|
|
1 0.2877536000E+01 0.1000000000E+01
|
|
P 1
|
|
1 0.1269009000E+01 0.1000000000E+01
|
|
P 1
|
|
1 0.5596400000E+00 0.1000000000E+01
|
|
P 1
|
|
1 0.448099750E-01 0.1000000000E+01
|
|
D 1
|
|
1 0.6439125263E+01 0.1000000000E+01
|
|
D 1
|
|
1 0.1624039000E+01 0.1000000000E+01
|
|
D 1
|
|
1 0.6961650000E+00 0.1000000000E+01
|
|
D 1
|
|
1 0.2984200000E+00 0.1000000000E+01
|
|
D 1
|
|
1 0.1279210000E+00 0.1000000000E+01
|
|
F 1
|
|
1 0.1342493000E+01 0.1000000000E+01
|
|
F 1
|
|
1 0.5599010000E+00 0.1000000000E+01
|
|
F 1
|
|
1 0.2335120000E+00 0.1000000000E+01
|
|
G 1
|
|
1 0.1054956027E+01 0.1000000000E+01
|
|
$END |