mirror of https://github.com/pfloos/quack
2000 lines
69 KiB
Plaintext
2000 lines
69 KiB
Plaintext
!----------------------------------------------------------------------
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! Basis Set Exchange
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! Version v0.8.12
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! https://www.basissetexchange.org
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!----------------------------------------------------------------------
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! Basis set: 6ZaPa-NR
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! Description: Sextuple Zeta augmented + polarization (nonrelativistic)
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! Role: orbital
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! Version: 1 (Data from Supplemental Information of publications)
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!----------------------------------------------------------------------
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$DATA
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HYDROGEN
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S 10
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1 0.1236550887E+04 0.5411825039E-04
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2 0.2770666880E+03 0.3008878800E-03
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3 0.6190041000E+02 0.1768785770E-02
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4 0.1750924900E+02 0.7217571709E-02
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5 0.5729993000E+01 0.2566849940E-01
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6 0.2065079000E+01 0.7841463929E-01
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7 0.8007820000E+00 0.1973910090E+00
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8 0.3301280000E+00 0.3598285599E+00
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9 0.1424660000E+00 0.3642526999E+00
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10 0.6222000000E-01 0.1099635200E+00
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S 1
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1 0.2433484000E+01 0.1000000000E+01
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S 1
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1 0.9567950000E+00 0.1000000000E+01
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S 1
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1 0.3936420000E+00 0.1000000000E+01
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S 1
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1 0.1550630000E+00 0.1000000000E+01
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S 1
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1 0.6403400000E-01 0.1000000000E+01
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S 1
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1 0.2553500000E-01 0.1000000000E+01
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S 1
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1 0.9587000000E-02 0.1000000000E+01
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P 1
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1 0.7153038000E+01 0.1000000000E+01
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P 1
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1 0.2428633000E+01 0.1000000000E+01
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P 1
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1 0.1082791000E+01 0.1000000000E+01
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P 1
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1 0.4677970000E+00 0.1000000000E+01
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P 1
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1 0.1959010000E+00 0.1000000000E+01
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P 1
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1 0.8203810000E-01 0.1000000000E+01
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D 1
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1 0.6264435000E+01 0.1000000000E+01
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D 1
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1 0.2645911000E+01 0.1000000000E+01
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D 1
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1 0.1150688000E+01 0.1000000000E+01
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D 1
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1 0.4254790000E+00 0.1000000000E+01
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D 1
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1 0.1573250000E+00 0.1000000000E+01
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F 1
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1 0.3223699000E+01 0.1000000000E+01
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F 1
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1 0.1222229000E+01 0.1000000000E+01
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F 1
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1 0.5009380000E+00 0.1000000000E+01
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F 1
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1 0.2053120000E+00 0.1000000000E+01
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G 1
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1 0.3442219000E+01 0.1000000000E+01
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G 1
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1 0.1244815000E+01 0.1000000000E+01
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G 1
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1 0.4501643000E+00 0.1000000000E+01
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H 1
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1 0.1202396970E+01 0.1000000000E+01
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H 1
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1 0.3613870000E+00 0.1000000000E+01
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HELIUM
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S 13
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1 0.3286134760E+05 0.5190587039E-05
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2 0.5235406370E+04 0.3908345599E-04
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3 0.1157243270E+04 0.2170905189E-03
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4 0.3224913530E+03 0.9184368817E-03
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5 0.1054901710E+03 0.3277822939E-02
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6 0.3848887500E+02 0.1035682030E-01
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7 0.1513003600E+02 0.2955456939E-01
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8 0.6267262000E+01 0.7443730828E-01
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9 0.2698210000E+01 0.1569266210E+00
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10 0.1196223000E+01 0.2619700079E+00
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11 0.5413680000E+00 0.3296060409E+00
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12 0.2470740000E+00 0.2479680699E+00
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13 0.1115070000E+00 0.5840784608E-01
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S 1
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1 0.7228433000E+01 0.1000000000E+01
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S 1
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1 0.3089342000E+01 0.1000000000E+01
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S 1
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1 0.1156710000E+01 0.1000000000E+01
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S 1
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1 0.4541410000E+00 0.1000000000E+01
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S 1
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1 0.1665030000E+00 0.1000000000E+01
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S 1
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1 0.5032423900E-01 0.1000000000E+01
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P 1
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1 0.1625649800E+02 0.1000000000E+01
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P 1
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1 0.5822027000E+01 0.1000000000E+01
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P 1
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1 0.2544425000E+01 0.1000000000E+01
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P 1
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1 0.1059468000E+01 0.1000000000E+01
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P 1
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1 0.3989640000E+00 0.1000000000E+01
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P 1
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1 0.1502370000E+00 0.1000000000E+01
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D 1
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1 0.1151123000E+02 0.1000000000E+01
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D 1
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1 0.4386540000E+01 0.1000000000E+01
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D 1
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1 0.1820150000E+01 0.1000000000E+01
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D 1
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1 0.6840770000E+00 0.1000000000E+01
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D 1
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1 0.2571000000E+00 0.1000000000E+01
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F 1
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1 0.8311806000E+01 0.1000000000E+01
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F 1
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1 0.3090655000E+01 0.1000000000E+01
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F 1
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1 0.1136597000E+01 0.1000000000E+01
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F 1
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1 0.4179867000E+00 0.1000000000E+01
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G 1
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1 0.5784487000E+01 0.1000000000E+01
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G 1
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1 0.1925102000E+01 0.1000000000E+01
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G 1
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1 0.6406822000E+00 0.1000000000E+01
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H 1
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1 0.3600505689E+01 0.1000000000E+01
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LITHIUM
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S 11
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1 0.2331354821E+05 0.2439351458E-04
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2 0.3490371983E+04 0.1876643427E-03
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3 0.7989113550E+03 0.9888329889E-03
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4 0.2242755370E+03 0.4196274704E-02
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5 0.7327116700E+02 0.1476120491E-01
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6 0.2661025100E+02 0.4510600926E-01
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7 0.1033154200E+02 0.1174632110E+00
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8 0.4217898000E+01 0.2396369971E+00
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9 0.1797406000E+01 0.3554733363E+00
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10 0.7803650000E+00 0.3100187749E+00
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11 0.3308530000E+00 0.7484647588E-01
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S 8
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1 0.1033154200E+02 -0.8503568824E-03
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2 0.4217898000E+01 -0.3593633595E-02
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3 0.1797406000E+01 -0.1608072172E-01
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4 0.7803650000E+00 -0.5436183014E-01
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5 0.3308530000E+00 -0.8439888491E-01
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6 0.1344520000E+00 0.1677399925E+00
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7 0.5505700000E-01 0.6260773194E+00
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8 0.2334600000E-01 0.3272160672E+00
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S 1
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1 0.3431220000E+00 0.1000000000E+01
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S 1
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1 0.1731470000E+00 0.1000000000E+01
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S 1
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1 0.8737300000E-01 0.1000000000E+01
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S 1
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1 0.4409000000E-01 0.1000000000E+01
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S 1
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1 0.2224900000E-01 0.1000000000E+01
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S 1
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1 0.9899481000E-02 0.1000000000E+01
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P 9
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1 0.3259273600E+02 0.2251927201E-03
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2 0.7813667000E+01 0.1771189071E-02
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3 0.2433365000E+01 0.7723243844E-02
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4 0.8690970000E+00 0.2265705761E-01
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5 0.3361120000E+00 0.6636753233E-01
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6 0.1385710000E+00 0.1895940531E+00
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7 0.6095800000E-01 0.3815257762E+00
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8 0.2839000000E-01 0.3940672642E+00
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9 0.1342500000E-01 0.1176233861E+00
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P 1
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1 0.4761530000E+00 0.1000000000E+01
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P 1
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1 0.2060460000E+00 0.1000000000E+01
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P 1
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1 0.8916200000E-01 0.1000000000E+01
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P 1
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1 0.3858300000E-01 0.1000000000E+01
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P 1
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1 0.1669600000E-01 0.1000000000E+01
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P 1
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1 0.6348384000E-02 0.1000000000E+01
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D 1
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1 0.7604180000E+00 0.1000000000E+01
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D 1
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1 0.4064410000E+00 0.1000000000E+01
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D 1
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1 0.2172410000E+00 0.1000000000E+01
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D 1
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1 0.1161150000E+00 0.1000000000E+01
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D 1
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1 0.6206300000E-01 0.1000000000E+01
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D 1
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1 0.3317200000E-01 0.1000000000E+01
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F 1
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1 0.4047180000E+00 0.1000000000E+01
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F 1
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1 0.2398290000E+00 0.1000000000E+01
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F 1
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1 0.1421180000E+00 0.1000000000E+01
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F 1
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1 0.8421700000E-01 0.1000000000E+01
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F 1
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1 0.4990500000E-01 0.1000000000E+01
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G 1
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1 0.4503350000E+00 0.1000000000E+01
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G 1
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1 0.2516120000E+00 0.1000000000E+01
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G 1
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1 0.1405810000E+00 0.1000000000E+01
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G 1
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1 0.7854560000E-01 0.1000000000E+01
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H 1
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1 0.3134460000E+00 0.1000000000E+01
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H 1
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1 0.1641550000E+00 0.1000000000E+01
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H 1
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1 0.8596970000E-01 0.1000000000E+01
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I 1
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1 0.2397828786E+00 0.1000000000E+01
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BERYLLIUM
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S 14
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1 0.1119496264E+06 0.6699800684E-05
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2 0.1893929997E+05 0.4765934773E-04
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3 0.4170892662E+04 0.2738229604E-03
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4 0.1131598115E+04 0.1209090959E-02
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5 0.3608634900E+03 0.4425099932E-02
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6 0.1300174060E+03 0.1399388122E-01
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7 0.5121943900E+02 0.3907415015E-01
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8 0.2148187800E+02 0.9583253690E-01
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9 0.9391205000E+01 0.1975352982E+00
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10 0.4210013000E+01 0.3207373288E+00
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11 0.1911920000E+01 0.3364974546E+00
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12 0.8720010000E+00 0.1404014915E+00
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13 0.3971020000E+00 0.7044821986E-02
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14 0.1799130000E+00 0.1261204782E-02
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S 10
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1 0.5121943900E+02 -0.1499007690E-03
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2 0.2148187800E+02 -0.7736254280E-03
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3 0.9391205000E+01 -0.4018981883E-02
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4 0.4210013000E+01 -0.1527609510E-01
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5 0.1911920000E+01 -0.5099283242E-01
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6 0.8720010000E+00 -0.7400565230E-01
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7 0.3971020000E+00 0.7620143917E-01
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8 0.1799130000E+00 0.3726417571E+00
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9 0.8092800000E-01 0.5002133830E+00
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10 0.3610100000E-01 0.1752346795E+00
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S 1
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1 0.3304292000E+01 0.1000000000E+01
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S 1
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1 0.1558038000E+01 0.1000000000E+01
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S 1
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1 0.7346450000E+00 0.1000000000E+01
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S 1
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1 0.3463990000E+00 0.1000000000E+01
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S 1
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1 0.1633340000E+00 0.1000000000E+01
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S 1
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1 0.1610421900E-01 0.1000000000E+01
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P 8
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1 0.4360946200E+02 0.6309109617E-03
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2 0.1037874500E+02 0.4887720598E-02
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3 0.3197705000E+01 0.2090497399E-01
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4 0.1139732000E+01 0.6605369897E-01
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5 0.4439150000E+00 0.1900136909E+00
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6 0.1839980000E+00 0.3782706388E+00
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7 0.7945900000E-01 0.4029215058E+00
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8 0.3431900000E-01 0.1401976359E+00
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P 1
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1 0.2467426000E+01 0.1000000000E+01
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P 1
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1 0.1214090000E+01 0.1000000000E+01
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P 1
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1 0.5973890000E+00 0.1000000000E+01
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P 1
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1 0.2939440000E+00 0.1000000000E+01
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P 1
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1 0.1446340000E+00 0.1000000000E+01
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P 1
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1 0.1482266000E-01 0.1000000000E+01
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D 1
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1 0.1468394000E+01 0.1000000000E+01
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D 1
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1 0.7769080000E+00 0.1000000000E+01
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D 1
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1 0.4110520000E+00 0.1000000000E+01
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D 1
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1 0.2174830000E+00 0.1000000000E+01
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D 1
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1 0.1150670000E+00 0.1000000000E+01
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D 1
|
|
1 0.6088020000E-01 0.1000000000E+01
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F 1
|
|
1 0.9364220000E+00 0.1000000000E+01
|
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F 1
|
|
1 0.5246510000E+00 0.1000000000E+01
|
|
F 1
|
|
1 0.2939470000E+00 0.1000000000E+01
|
|
F 1
|
|
1 0.1646900000E+00 0.1000000000E+01
|
|
F 1
|
|
1 0.9227100000E-01 0.1000000000E+01
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|
G 1
|
|
1 0.8266300000E+00 0.1000000000E+01
|
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G 1
|
|
1 0.4372160000E+00 0.1000000000E+01
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G 1
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|
1 0.2312490000E+00 0.1000000000E+01
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G 1
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|
1 0.1223100000E+00 0.1000000000E+01
|
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H 1
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1 0.7077300000E+00 0.1000000000E+01
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H 1
|
|
1 0.3363590000E+00 0.1000000000E+01
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H 1
|
|
1 0.1598590000E+00 0.1000000000E+01
|
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I 1
|
|
1 0.5391342361E+00 0.1000000000E+01
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|
|
BORON
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|
S 14
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|
1 0.1848560779E+06 0.6364308010E-05
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2 0.3119683206E+05 0.4538208239E-04
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3 0.6869651760E+04 0.2605348424E-03
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4 0.1864966838E+04 0.1149412604E-02
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5 0.5950731800E+03 0.4207269051E-02
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6 0.2144841110E+03 0.1332054519E-01
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7 0.8453679500E+02 0.3733369832E-01
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8 0.3549657600E+02 0.9229562401E-01
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9 0.1555503300E+02 0.1930917412E+00
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10 0.7001134000E+01 0.3185660807E+00
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11 0.3197345000E+01 0.3392309273E+00
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12 0.1467953000E+01 0.1459747348E+00
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13 0.6726780000E+00 0.9796860428E-02
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14 0.3058200000E+00 0.1086930452E-02
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S 10
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1 0.8453679500E+02 -0.1643351238E-03
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2 0.3549657600E+02 -0.8724269414E-03
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3 0.1555503300E+02 -0.4611783331E-02
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4 0.7001134000E+01 -0.1786945827E-01
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5 0.3197345000E+01 -0.5649306950E-01
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6 0.1467953000E+01 -0.7031675559E-01
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7 0.6726780000E+00 0.1054006747E+00
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8 0.3058200000E+00 0.3952626374E+00
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9 0.1371580000E+00 0.4742190055E+00
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10 0.6030900000E-01 0.1577115744E+00
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S 1
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1 0.1271954000E+01 0.1000000000E+01
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S 1
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|
1 0.6032800000E+00 0.1000000000E+01
|
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S 1
|
|
1 0.2861320000E+00 0.1000000000E+01
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S 1
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1 0.1357110000E+00 0.1000000000E+01
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S 1
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1 0.6436700000E-01 0.1000000000E+01
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S 1
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1 0.2497990594E-01 0.1000000000E+01
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P 10
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1 0.1907715650E+03 0.1340518708E-03
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2 0.4583109200E+02 0.1152701316E-02
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3 0.1455020400E+02 0.6030272634E-02
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4 0.5444669000E+01 0.2113172340E-01
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5 0.2235581000E+01 0.6130452788E-01
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6 0.9675860000E+00 0.1526422173E+00
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7 0.4326370000E+00 0.2788042872E+00
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8 0.1975540000E+00 0.3574183610E+00
|
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9 0.9081500000E-01 0.2806056792E+00
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10 0.4084700000E-01 0.7646110242E-01
|
|
P 1
|
|
1 0.1509222000E+01 0.1000000000E+01
|
|
P 1
|
|
1 0.6708900000E+00 0.1000000000E+01
|
|
P 1
|
|
1 0.2982290000E+00 0.1000000000E+01
|
|
P 1
|
|
1 0.1325710000E+00 0.1000000000E+01
|
|
P 1
|
|
1 0.5893100000E-01 0.1000000000E+01
|
|
P 1
|
|
1 0.1790414136E-01 0.1000000000E+01
|
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D 1
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|
1 0.2856047000E+01 0.1000000000E+01
|
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D 1
|
|
1 0.1335505000E+01 0.1000000000E+01
|
|
D 1
|
|
1 0.6244900000E+00 0.1000000000E+01
|
|
D 1
|
|
1 0.2920150000E+00 0.1000000000E+01
|
|
D 1
|
|
1 0.1365480000E+00 0.1000000000E+01
|
|
D 1
|
|
1 0.6385067000E-01 0.1000000000E+01
|
|
F 1
|
|
1 0.1465099000E+01 0.1000000000E+01
|
|
F 1
|
|
1 0.7782750000E+00 0.1000000000E+01
|
|
F 1
|
|
1 0.4134280000E+00 0.1000000000E+01
|
|
F 1
|
|
1 0.2196170000E+00 0.1000000000E+01
|
|
F 1
|
|
1 0.1166626000E+00 0.1000000000E+01
|
|
G 1
|
|
1 0.1478654000E+01 0.1000000000E+01
|
|
G 1
|
|
1 0.7374670000E+00 0.1000000000E+01
|
|
G 1
|
|
1 0.3678060000E+00 0.1000000000E+01
|
|
G 1
|
|
1 0.1834404000E+00 0.1000000000E+01
|
|
H 1
|
|
1 0.1226156000E+01 0.1000000000E+01
|
|
H 1
|
|
1 0.5577360000E+00 0.1000000000E+01
|
|
H 1
|
|
1 0.2536948000E+00 0.1000000000E+01
|
|
I 1
|
|
1 0.9198525875E+00 0.1000000000E+01
|
|
|
|
CARBON
|
|
S 13
|
|
1 0.2741058033E+06 0.6195108691E-05
|
|
2 0.4636215670E+05 0.4404679979E-04
|
|
3 0.1021631789E+05 0.2529448730E-03
|
|
4 0.2772611505E+04 0.1116811879E-02
|
|
5 0.8839413830E+03 0.4096742198E-02
|
|
6 0.3183297790E+03 0.1298802009E-01
|
|
7 0.1254121500E+03 0.3651874127E-01
|
|
8 0.5267632100E+02 0.9062470331E-01
|
|
9 0.2311168000E+02 0.1913871343E+00
|
|
10 0.1042419500E+02 0.3179256494E+00
|
|
11 0.4773503000E+01 0.3407678887E+00
|
|
12 0.2197578000E+01 0.1469094268E+00
|
|
13 0.1008878000E+01 0.1233421439E-01
|
|
S 10
|
|
1 0.1254121500E+03 -0.1718634875E-03
|
|
2 0.5267632100E+02 -0.9433328799E-03
|
|
3 0.2311168000E+02 -0.4991958508E-02
|
|
4 0.1042419500E+02 -0.1966844657E-01
|
|
5 0.4773503000E+01 -0.5951766431E-01
|
|
6 0.2197578000E+01 -0.6597754396E-01
|
|
7 0.1008878000E+01 0.1238626145E+00
|
|
8 0.4585090000E+00 0.4047447337E+00
|
|
9 0.2047660000E+00 0.4588324036E+00
|
|
10 0.8910800000E-01 0.1489045123E+00
|
|
S 1
|
|
1 0.1901429000E+01 0.1000000000E+01
|
|
S 1
|
|
1 0.8856280000E+00 0.1000000000E+01
|
|
S 1
|
|
1 0.4124990000E+00 0.1000000000E+01
|
|
S 1
|
|
1 0.1921300000E+00 0.1000000000E+01
|
|
S 1
|
|
1 0.8948800000E-01 0.1000000000E+01
|
|
S 1
|
|
1 0.3619331473E-01 0.1000000000E+01
|
|
P 11
|
|
1 0.4746409380E+03 0.6057290989E-04
|
|
2 0.1148333470E+03 0.5320061360E-03
|
|
3 0.3653654700E+02 0.3003900940E-02
|
|
4 0.1380489800E+02 0.1162455370E-01
|
|
5 0.5781436000E+01 0.3509661020E-01
|
|
6 0.2569999000E+01 0.9163996538E-01
|
|
7 0.1182652000E+01 0.1930229940E+00
|
|
8 0.5554700000E+00 0.2978047500E+00
|
|
9 0.2634530000E+00 0.3309731780E+00
|
|
10 0.1243470000E+00 0.2258447630E+00
|
|
11 0.5691100000E-01 0.5405449519E-01
|
|
P 1
|
|
1 0.2207781000E+01 0.1000000000E+01
|
|
P 1
|
|
1 0.9756890000E+00 0.1000000000E+01
|
|
P 1
|
|
1 0.4311880000E+00 0.1000000000E+01
|
|
P 1
|
|
1 0.1905560000E+00 0.1000000000E+01
|
|
P 1
|
|
1 0.8421300000E-01 0.1000000000E+01
|
|
P 1
|
|
1 0.3009217328E-01 0.1000000000E+01
|
|
D 1
|
|
1 0.5188287000E+01 0.1000000000E+01
|
|
D 1
|
|
1 0.2311092000E+01 0.1000000000E+01
|
|
D 1
|
|
1 0.1029462000E+01 0.1000000000E+01
|
|
D 1
|
|
1 0.4585680000E+00 0.1000000000E+01
|
|
D 1
|
|
1 0.2042660000E+00 0.1000000000E+01
|
|
D 1
|
|
1 0.9098890000E-01 0.1000000000E+01
|
|
F 1
|
|
1 0.2526482000E+01 0.1000000000E+01
|
|
F 1
|
|
1 0.1285579000E+01 0.1000000000E+01
|
|
F 1
|
|
1 0.6541560000E+00 0.1000000000E+01
|
|
F 1
|
|
1 0.3328620000E+00 0.1000000000E+01
|
|
F 1
|
|
1 0.1693740000E+00 0.1000000000E+01
|
|
G 1
|
|
1 0.2461543000E+01 0.1000000000E+01
|
|
G 1
|
|
1 0.1195949000E+01 0.1000000000E+01
|
|
G 1
|
|
1 0.5810560000E+00 0.1000000000E+01
|
|
G 1
|
|
1 0.2823080000E+00 0.1000000000E+01
|
|
H 1
|
|
1 0.1834038000E+01 0.1000000000E+01
|
|
H 1
|
|
1 0.8062260000E+00 0.1000000000E+01
|
|
H 1
|
|
1 0.3544090000E+00 0.1000000000E+01
|
|
I 1
|
|
1 0.1510940593E+01 0.1000000000E+01
|
|
|
|
NITROGEN
|
|
S 15
|
|
1 0.5000000000E+06 0.3638571635E-05
|
|
2 0.1148233959E+06 0.1960368839E-04
|
|
3 0.2536061955E+05 0.1216200590E-03
|
|
4 0.6839851787E+04 0.5381714630E-03
|
|
5 0.2161118669E+04 0.2012279375E-02
|
|
6 0.7723511430E+03 0.6476943696E-02
|
|
7 0.3031811790E+03 0.1862994848E-01
|
|
8 0.1275828270E+03 0.4818499657E-01
|
|
9 0.5642306800E+02 0.1109675546E+00
|
|
10 0.2580505100E+02 0.2167170793E+00
|
|
11 0.1204755400E+02 0.3291647108E+00
|
|
12 0.5681613000E+01 0.3051449743E+00
|
|
13 0.2683131000E+01 0.1088520703E+00
|
|
14 0.1259306000E+01 0.6811993944E-02
|
|
15 0.5832840000E+00 0.1207430338E-02
|
|
S 10
|
|
1 0.1275828270E+03 -0.3441992061E-03
|
|
2 0.5642306800E+02 -0.1524823594E-02
|
|
3 0.2580505100E+02 -0.7577430335E-02
|
|
4 0.1204755400E+02 -0.2683392175E-01
|
|
5 0.5681613000E+01 -0.6812951659E-01
|
|
6 0.2683131000E+01 -0.4242512243E-01
|
|
7 0.1259306000E+01 0.1720938374E+00
|
|
8 0.5832840000E+00 0.4205021833E+00
|
|
9 0.2647070000E+00 0.4199561073E+00
|
|
10 0.1167660000E+00 0.1220017429E+00
|
|
S 1
|
|
1 0.2672333000E+01 0.1000000000E+01
|
|
S 1
|
|
1 0.1215823000E+01 0.1000000000E+01
|
|
S 1
|
|
1 0.5531590000E+00 0.1000000000E+01
|
|
S 1
|
|
1 0.2516690000E+00 0.1000000000E+01
|
|
S 1
|
|
1 0.1145010000E+00 0.1000000000E+01
|
|
S 1
|
|
1 0.4466507187E-01 0.1000000000E+01
|
|
P 11
|
|
1 0.6658552620E+03 0.6360437046E-04
|
|
2 0.1609408420E+03 0.5605752797E-03
|
|
3 0.5120417300E+02 0.3187078278E-02
|
|
4 0.1937969600E+02 0.1249150199E-01
|
|
5 0.8142370000E+01 0.3822826698E-01
|
|
6 0.3633311000E+01 0.9896483684E-01
|
|
7 0.1676987000E+01 0.2022805739E+00
|
|
8 0.7881640000E+00 0.3015745058E+00
|
|
9 0.3726690000E+00 0.3239404678E+00
|
|
10 0.1745400000E+00 0.2159859359E+00
|
|
11 0.7888400000E-01 0.5189478247E-01
|
|
P 1
|
|
1 0.3101990000E+01 0.1000000000E+01
|
|
P 1
|
|
1 0.1353966000E+01 0.1000000000E+01
|
|
P 1
|
|
1 0.5909830000E+00 0.1000000000E+01
|
|
P 1
|
|
1 0.2579540000E+00 0.1000000000E+01
|
|
P 1
|
|
1 0.1125920000E+00 0.1000000000E+01
|
|
P 1
|
|
1 0.5053514263E-01 0.1000000000E+01
|
|
P 1
|
|
1 0.2109732021E-01 0.1000000000E+01
|
|
D 1
|
|
1 0.7552117000E+01 0.1000000000E+01
|
|
D 1
|
|
1 0.3312421000E+01 0.1000000000E+01
|
|
D 1
|
|
1 0.1452855000E+01 0.1000000000E+01
|
|
D 1
|
|
1 0.6372340000E+00 0.1000000000E+01
|
|
D 1
|
|
1 0.2794960000E+00 0.1000000000E+01
|
|
D 1
|
|
1 0.1225892000E+00 0.1000000000E+01
|
|
F 1
|
|
1 0.3508208000E+01 0.1000000000E+01
|
|
F 1
|
|
1 0.1699635000E+01 0.1000000000E+01
|
|
F 1
|
|
1 0.8234290000E+00 0.1000000000E+01
|
|
F 1
|
|
1 0.3989300000E+00 0.1000000000E+01
|
|
F 1
|
|
1 0.1932710000E+00 0.1000000000E+01
|
|
G 1
|
|
1 0.3561320000E+01 0.1000000000E+01
|
|
G 1
|
|
1 0.1647316000E+01 0.1000000000E+01
|
|
G 1
|
|
1 0.7619790000E+00 0.1000000000E+01
|
|
G 1
|
|
1 0.3524593000E+00 0.1000000000E+01
|
|
H 1
|
|
1 0.2622822000E+01 0.1000000000E+01
|
|
H 1
|
|
1 0.1130325000E+01 0.1000000000E+01
|
|
H 1
|
|
1 0.4871221100E+00 0.1000000000E+01
|
|
I 1
|
|
1 0.2010940593E+01 0.1000000000E+01
|
|
|
|
OXYGEN
|
|
S 15
|
|
1 0.6548000000E+06 0.3676746544E-05
|
|
2 0.1483657123E+06 0.2001322601E-04
|
|
3 0.3287120290E+05 0.1230958929E-03
|
|
4 0.8900326514E+04 0.5419452353E-03
|
|
5 0.2822487225E+04 0.2017300727E-02
|
|
6 0.1011638751E+04 0.6474519326E-02
|
|
7 0.3979108470E+03 0.1859701774E-01
|
|
8 0.1676654060E+03 0.4810708725E-01
|
|
9 0.7422043800E+02 0.1109657057E+00
|
|
10 0.3397885900E+02 0.2172491231E+00
|
|
11 0.1588559300E+02 0.3297594370E+00
|
|
12 0.7505787000E+01 0.3039544665E+00
|
|
13 0.3552417000E+01 0.1081779895E+00
|
|
14 0.1670456000E+01 0.7138302431E-02
|
|
15 0.7740200000E+00 0.1237595785E-02
|
|
S 10
|
|
1 0.1676654060E+03 -0.3618306853E-03
|
|
2 0.7422043800E+02 -0.1614846493E-02
|
|
3 0.3397885900E+02 -0.8051280847E-02
|
|
4 0.1588559300E+02 -0.2843516405E-01
|
|
5 0.7505787000E+01 -0.6974989359E-01
|
|
6 0.3552417000E+01 -0.3762836555E-01
|
|
7 0.1670456000E+01 0.1842351239E+00
|
|
8 0.7740200000E+00 0.4267202503E+00
|
|
9 0.3502170000E+00 0.4088258309E+00
|
|
10 0.1530920000E+00 0.1148198259E+00
|
|
S 1
|
|
1 0.3443955000E+01 0.1000000000E+01
|
|
S 1
|
|
1 0.1607443000E+01 0.1000000000E+01
|
|
S 1
|
|
1 0.7502640000E+00 0.1000000000E+01
|
|
S 1
|
|
1 0.3501810000E+00 0.1000000000E+01
|
|
S 1
|
|
1 0.1634450000E+00 0.1000000000E+01
|
|
S 1
|
|
1 0.6343585760E-01 0.1000000000E+01
|
|
P 11
|
|
1 0.8425259190E+03 0.7115590364E-04
|
|
2 0.2038673200E+03 0.6269252005E-03
|
|
3 0.6481637700E+02 0.3575226676E-02
|
|
4 0.2453650700E+02 0.1406815969E-01
|
|
5 0.1032262900E+02 0.4331169469E-01
|
|
6 0.4610823000E+01 0.1103853021E+00
|
|
7 0.2124722000E+01 0.2148049775E+00
|
|
8 0.9920000000E+00 0.3022354214E+00
|
|
9 0.4628540000E+00 0.3126216704E+00
|
|
10 0.2124640000E+00 0.2092272585E+00
|
|
11 0.9367700000E-01 0.5257213566E-01
|
|
P 1
|
|
1 0.3923428000E+01 0.1000000000E+01
|
|
P 1
|
|
1 0.1652241000E+01 0.1000000000E+01
|
|
P 1
|
|
1 0.6957950000E+00 0.1000000000E+01
|
|
P 1
|
|
1 0.2930150000E+00 0.1000000000E+01
|
|
P 1
|
|
1 0.1233950000E+00 0.1000000000E+01
|
|
P 1
|
|
1 0.4557271185E-01 0.1000000000E+01
|
|
D 1
|
|
1 0.9871045000E+01 0.1000000000E+01
|
|
D 1
|
|
1 0.4275423000E+01 0.1000000000E+01
|
|
D 1
|
|
1 0.1851804000E+01 0.1000000000E+01
|
|
D 1
|
|
1 0.8020670000E+00 0.1000000000E+01
|
|
D 1
|
|
1 0.3473980000E+00 0.1000000000E+01
|
|
D 1
|
|
1 0.1504670000E+00 0.1000000000E+01
|
|
F 1
|
|
1 0.5194130000E+01 0.1000000000E+01
|
|
F 1
|
|
1 0.2436296000E+01 0.1000000000E+01
|
|
F 1
|
|
1 0.1142740000E+01 0.1000000000E+01
|
|
F 1
|
|
1 0.5360000000E+00 0.1000000000E+01
|
|
F 1
|
|
1 0.2514097000E+00 0.1000000000E+01
|
|
G 1
|
|
1 0.5063136000E+01 0.1000000000E+01
|
|
G 1
|
|
1 0.2235772000E+01 0.1000000000E+01
|
|
G 1
|
|
1 0.9872690000E+00 0.1000000000E+01
|
|
G 1
|
|
1 0.4359560000E+00 0.1000000000E+01
|
|
H 1
|
|
1 0.3591649000E+01 0.1000000000E+01
|
|
H 1
|
|
1 0.1458150000E+01 0.1000000000E+01
|
|
H 1
|
|
1 0.5919840000E+00 0.1000000000E+01
|
|
I 1
|
|
1 0.2680115504E+01 0.1000000000E+01
|
|
|
|
FLUORINE
|
|
S 15
|
|
1 0.8250000000E+06 0.3643935712E-05
|
|
2 0.1918127476E+06 0.1958810624E-04
|
|
3 0.4203443341E+05 0.1228357998E-03
|
|
4 0.1131205825E+05 0.5431491867E-03
|
|
5 0.3576990623E+04 0.2025653736E-02
|
|
6 0.1281022058E+04 0.6498502676E-02
|
|
7 0.5040846600E+03 0.1864130990E-01
|
|
8 0.2126459070E+03 0.4815846362E-01
|
|
9 0.9427568200E+02 0.1110398593E+00
|
|
10 0.4323429300E+02 0.2175580773E+00
|
|
11 0.2024813900E+02 0.3299763557E+00
|
|
12 0.9582697000E+01 0.3030258617E+00
|
|
13 0.4541095000E+01 0.1077595699E+00
|
|
14 0.2136313000E+01 0.7394751477E-02
|
|
15 0.9888490000E+00 0.1282409555E-02
|
|
S 10
|
|
1 0.2126459070E+03 -0.3771086314E-03
|
|
2 0.9427568200E+02 -0.1685002199E-02
|
|
3 0.4323429300E+02 -0.8416257893E-02
|
|
4 0.2024813900E+02 -0.2959485555E-01
|
|
5 0.9582697000E+01 -0.7070651316E-01
|
|
6 0.4541095000E+01 -0.3367451815E-01
|
|
7 0.2136313000E+01 0.1929601870E+00
|
|
8 0.9888490000E+00 0.4307072113E+00
|
|
9 0.4458440000E+00 0.4008851832E+00
|
|
10 0.1934550000E+00 0.1096912112E+00
|
|
S 1
|
|
1 0.4621829000E+01 0.1000000000E+01
|
|
S 1
|
|
1 0.2167341000E+01 0.1000000000E+01
|
|
S 1
|
|
1 0.1016344000E+01 0.1000000000E+01
|
|
S 1
|
|
1 0.4766000000E+00 0.1000000000E+01
|
|
S 1
|
|
1 0.2234950000E+00 0.1000000000E+01
|
|
S 1
|
|
1 0.8687802727E-01 0.1000000000E+01
|
|
P 12
|
|
1 0.1679966278E+04 0.3354173797E-04
|
|
2 0.4090647950E+03 0.2972890747E-03
|
|
3 0.1297987880E+03 0.1763853068E-02
|
|
4 0.4914670400E+02 0.7392748393E-02
|
|
5 0.2082482000E+02 0.2404134708E-01
|
|
6 0.9442300000E+01 0.6526271964E-01
|
|
7 0.4446604000E+01 0.1443331949E+00
|
|
8 0.2133263000E+01 0.2398576708E+00
|
|
9 0.1028899000E+01 0.2975671097E+00
|
|
10 0.4931350000E+00 0.2800508847E+00
|
|
11 0.2314990000E+00 0.1715086888E+00
|
|
12 0.1041580000E+00 0.3914362266E-01
|
|
P 1
|
|
1 0.5085001000E+01 0.1000000000E+01
|
|
P 1
|
|
1 0.2128221000E+01 0.1000000000E+01
|
|
P 1
|
|
1 0.8907220000E+00 0.1000000000E+01
|
|
P 1
|
|
1 0.3727930000E+00 0.1000000000E+01
|
|
P 1
|
|
1 0.1560250000E+00 0.1000000000E+01
|
|
P 1
|
|
1 0.5875616644E-01 0.1000000000E+01
|
|
D 1
|
|
1 0.1257536800E+02 0.1000000000E+01
|
|
D 1
|
|
1 0.5426469000E+01 0.1000000000E+01
|
|
D 1
|
|
1 0.2341606000E+01 0.1000000000E+01
|
|
D 1
|
|
1 0.1010440000E+01 0.1000000000E+01
|
|
D 1
|
|
1 0.4360210000E+00 0.1000000000E+01
|
|
D 1
|
|
1 0.1881500000E+00 0.1000000000E+01
|
|
F 1
|
|
1 0.6940585000E+01 0.1000000000E+01
|
|
F 1
|
|
1 0.3121210000E+01 0.1000000000E+01
|
|
F 1
|
|
1 0.1403621000E+01 0.1000000000E+01
|
|
F 1
|
|
1 0.6312140000E+00 0.1000000000E+01
|
|
F 1
|
|
1 0.2838590000E+00 0.1000000000E+01
|
|
G 1
|
|
1 0.6724314000E+01 0.1000000000E+01
|
|
G 1
|
|
1 0.2847899000E+01 0.1000000000E+01
|
|
G 1
|
|
1 0.1206150000E+01 0.1000000000E+01
|
|
G 1
|
|
1 0.5108310000E+00 0.1000000000E+01
|
|
H 1
|
|
1 0.4717751000E+01 0.1000000000E+01
|
|
H 1
|
|
1 0.1861195000E+01 0.1000000000E+01
|
|
H 1
|
|
1 0.7342580000E+00 0.1000000000E+01
|
|
I 1
|
|
1 0.3514960927E+01 0.1000000000E+01
|
|
|
|
NEON
|
|
S 15
|
|
1 0.7592900000E+06 0.4572351486E-05
|
|
2 0.2368045862E+06 0.1793913107E-04
|
|
3 0.5240598869E+05 0.1221904411E-03
|
|
4 0.1417415120E+05 0.5324678005E-03
|
|
5 0.4488587984E+04 0.1992753335E-02
|
|
6 0.1605965161E+04 0.6408422517E-02
|
|
7 0.6304639460E+03 0.1847496904E-01
|
|
8 0.2651881290E+03 0.4796303043E-01
|
|
9 0.1172460820E+03 0.1111286993E+00
|
|
10 0.5365418000E+02 0.2185102924E+00
|
|
11 0.2509753200E+02 0.3312079492E+00
|
|
12 0.1187445400E+02 0.3020715657E+00
|
|
13 0.5629594000E+01 0.1065704869E+00
|
|
14 0.2650089000E+01 0.7506758908E-02
|
|
15 0.1226698000E+01 0.1315734729E-02
|
|
S 10
|
|
1 0.2651881290E+03 -0.3823398415E-03
|
|
2 0.1172460820E+03 -0.1737091236E-02
|
|
3 0.5365418000E+02 -0.8717794175E-02
|
|
4 0.2509753200E+02 -0.3065498313E-01
|
|
5 0.1187445400E+02 -0.7150258365E-01
|
|
6 0.5629594000E+01 -0.2977378971E-01
|
|
7 0.2650089000E+01 0.2001906309E+00
|
|
8 0.1226698000E+01 0.4325170316E+00
|
|
9 0.5521260000E+00 0.3944660165E+00
|
|
10 0.2383780000E+00 0.1063161703E+00
|
|
S 1
|
|
1 0.9551807000E+01 0.1000000000E+01
|
|
S 1
|
|
1 0.4260461000E+01 0.1000000000E+01
|
|
S 1
|
|
1 0.1900324000E+01 0.1000000000E+01
|
|
S 1
|
|
1 0.8476150000E+00 0.1000000000E+01
|
|
S 1
|
|
1 0.3780680000E+00 0.1000000000E+01
|
|
S 1
|
|
1 0.1029186700E+00 0.1000000000E+01
|
|
P 12
|
|
1 0.2065537160E+04 0.3511416141E-04
|
|
2 0.5025211230E+03 0.3116357070E-03
|
|
3 0.1594703590E+03 0.1849485790E-02
|
|
4 0.6043998800E+02 0.7762648121E-02
|
|
5 0.2564842700E+02 0.2533603190E-01
|
|
6 0.1164715300E+02 0.6866002001E-01
|
|
7 0.5490203000E+01 0.1497005810E+00
|
|
8 0.2633348000E+01 0.2438020450E+00
|
|
9 0.1267578000E+01 0.2967876450E+00
|
|
10 0.6049720000E+00 0.2750817790E+00
|
|
11 0.2820910000E+00 0.1676551620E+00
|
|
12 0.1257420000E+00 0.3874148491E-01
|
|
P 1
|
|
1 0.6263504000E+01 0.1000000000E+01
|
|
P 1
|
|
1 0.2712004000E+01 0.1000000000E+01
|
|
P 1
|
|
1 0.1174257000E+01 0.1000000000E+01
|
|
P 1
|
|
1 0.5084360000E+00 0.1000000000E+01
|
|
P 1
|
|
1 0.2201450000E+00 0.1000000000E+01
|
|
P 1
|
|
1 0.5604946800E-01 0.1000000000E+01
|
|
D 1
|
|
1 0.1591065300E+02 0.1000000000E+01
|
|
D 1
|
|
1 0.6826989000E+01 0.1000000000E+01
|
|
D 1
|
|
1 0.2929344000E+01 0.1000000000E+01
|
|
D 1
|
|
1 0.1256931000E+01 0.1000000000E+01
|
|
D 1
|
|
1 0.5393280000E+00 0.1000000000E+01
|
|
D 1
|
|
1 0.2314160000E+00 0.1000000000E+01
|
|
F 1
|
|
1 0.9020521000E+01 0.1000000000E+01
|
|
F 1
|
|
1 0.4043567000E+01 0.1000000000E+01
|
|
F 1
|
|
1 0.1812582000E+01 0.1000000000E+01
|
|
F 1
|
|
1 0.8125140000E+00 0.1000000000E+01
|
|
F 1
|
|
1 0.3642200000E+00 0.1000000000E+01
|
|
G 1
|
|
1 0.8488923000E+01 0.1000000000E+01
|
|
G 1
|
|
1 0.3545641000E+01 0.1000000000E+01
|
|
G 1
|
|
1 0.1480938000E+01 0.1000000000E+01
|
|
G 1
|
|
1 0.6185559000E+00 0.1000000000E+01
|
|
H 1
|
|
1 0.6049295000E+01 0.1000000000E+01
|
|
H 1
|
|
1 0.2347446000E+01 0.1000000000E+01
|
|
H 1
|
|
1 0.9109330000E+00 0.1000000000E+01
|
|
I 1
|
|
1 0.4429528069E+01 0.1000000000E+01
|
|
|
|
SODIUM
|
|
S 15
|
|
1 0.1622986021E+07 0.3019413319E-05
|
|
2 0.2952591241E+06 0.1970385099E-04
|
|
3 0.6618495293E+05 0.1142160355E-03
|
|
4 0.1773932821E+05 0.5204017705E-03
|
|
5 0.5526464730E+04 0.1982894659E-02
|
|
6 0.1948908348E+04 0.6484271717E-02
|
|
7 0.7590966170E+03 0.1872100994E-01
|
|
8 0.3192668830E+03 0.4821397500E-01
|
|
9 0.1420523500E+03 0.1102584057E+00
|
|
10 0.6564468700E+02 0.2148772048E+00
|
|
11 0.3100229500E+02 0.3266543121E+00
|
|
12 0.1475776700E+02 0.3045648918E+00
|
|
13 0.7000155000E+01 0.1120947976E+00
|
|
14 0.3279110000E+01 0.7660569090E-02
|
|
15 0.1507217000E+01 0.9889719968E-03
|
|
S 11
|
|
1 0.7590966170E+03 -0.5891529657E-04
|
|
2 0.3192668830E+03 -0.3807822902E-03
|
|
3 0.1420523500E+03 -0.2035580160E-02
|
|
4 0.6564468700E+02 -0.9147017616E-02
|
|
5 0.3100229500E+02 -0.3164677780E-01
|
|
6 0.1475776700E+02 -0.7385304254E-01
|
|
7 0.7000155000E+01 -0.3165294715E-01
|
|
8 0.3279110000E+01 0.2099234393E+00
|
|
9 0.1507217000E+01 0.4687554108E+00
|
|
10 0.6772070000E+00 0.3825445655E+00
|
|
11 0.2971160000E+00 0.6801043486E-01
|
|
S 8
|
|
1 0.7000155000E+01 0.4914249099E-03
|
|
2 0.3279110000E+01 -0.3113893370E-02
|
|
3 0.1507217000E+01 -0.1306927759E-01
|
|
4 0.6772070000E+00 -0.6267900419E-01
|
|
5 0.2971160000E+00 -0.1067663418E+00
|
|
6 0.1275080000E+00 0.1001953855E+00
|
|
7 0.5377200000E-01 0.6210714443E+00
|
|
8 0.2245300000E-01 0.4047279787E+00
|
|
S 1
|
|
1 0.1467496000E+01 0.1000000000E+01
|
|
S 1
|
|
1 0.7337460000E+00 0.1000000000E+01
|
|
S 1
|
|
1 0.3668720000E+00 0.1000000000E+01
|
|
S 1
|
|
1 0.1834360000E+00 0.1000000000E+01
|
|
S 1
|
|
1 0.9171800000E-01 0.1000000000E+01
|
|
S 1
|
|
1 0.6833685000E-02 0.1000000000E+01
|
|
P 13
|
|
1 0.2363679826E+04 0.4130410459E-04
|
|
2 0.5953046310E+03 0.3523516053E-03
|
|
3 0.1881414440E+03 0.2150900753E-02
|
|
4 0.7030652500E+02 0.9259821065E-02
|
|
5 0.2954833900E+02 0.3042623240E-01
|
|
6 0.1340217900E+02 0.8108890177E-01
|
|
7 0.6346712000E+01 0.1707658592E+00
|
|
8 0.3058837000E+01 0.2688745036E+00
|
|
9 0.1472677000E+01 0.3174139458E+00
|
|
10 0.6995950000E+00 0.2604106864E+00
|
|
11 0.3257490000E+00 0.1029400778E+00
|
|
12 0.1484300000E+00 0.8993372995E-02
|
|
13 0.6637300000E-01 0.9845083921E-03
|
|
P 9
|
|
1 0.6346712000E+01 -0.3882025307E-03
|
|
2 0.3058837000E+01 -0.5435727859E-03
|
|
3 0.1472677000E+01 -0.1248399926E-02
|
|
4 0.6995950000E+00 -0.5208652075E-02
|
|
5 0.3257490000E+00 -0.6130542274E-02
|
|
6 0.1484300000E+00 0.5529768220E-01
|
|
7 0.6637300000E-01 0.2784890911E+00
|
|
8 0.2932000000E-01 0.5284705789E+00
|
|
9 0.1292100000E-01 0.2519560800E+00
|
|
P 1
|
|
1 0.7939830000E+00 0.1000000000E+01
|
|
P 1
|
|
1 0.3964200000E+00 0.1000000000E+01
|
|
P 1
|
|
1 0.1979250000E+00 0.1000000000E+01
|
|
P 1
|
|
1 0.9882000000E-01 0.1000000000E+01
|
|
P 1
|
|
1 0.4433900000E-01 0.1000000000E+01
|
|
P 1
|
|
1 0.5463331000E-02 0.1000000000E+01
|
|
D 1
|
|
1 0.4315970000E+01 0.1000000000E+01
|
|
D 1
|
|
1 0.1091593000E+01 0.1000000000E+01
|
|
D 1
|
|
1 0.5097200000E+00 0.1000000000E+01
|
|
D 1
|
|
1 0.2380150000E+00 0.1000000000E+01
|
|
D 1
|
|
1 0.1111410000E+00 0.1000000000E+01
|
|
D 1
|
|
1 0.5189700000E-01 0.1000000000E+01
|
|
D 1
|
|
1 0.2423300000E-01 0.1000000000E+01
|
|
F 1
|
|
1 0.2169990000E+00 0.1000000000E+01
|
|
F 1
|
|
1 0.1489240000E+00 0.1000000000E+01
|
|
F 1
|
|
1 0.1022050000E+00 0.1000000000E+01
|
|
F 1
|
|
1 0.7014300000E-01 0.1000000000E+01
|
|
F 1
|
|
1 0.4813800000E-01 0.1000000000E+01
|
|
G 1
|
|
1 0.2286270000E+00 0.1000000000E+01
|
|
G 1
|
|
1 0.1781410000E+00 0.1000000000E+01
|
|
G 1
|
|
1 0.1388040000E+00 0.1000000000E+01
|
|
G 1
|
|
1 0.1081530000E+00 0.1000000000E+01
|
|
H 1
|
|
1 0.2423430000E+00 0.1000000000E+01
|
|
H 1
|
|
1 0.1606800000E+00 0.1000000000E+01
|
|
H 1
|
|
1 0.1065300000E+00 0.1000000000E+01
|
|
I 1
|
|
1 0.1996002000E+00 0.1000000000E+01
|
|
|
|
MAGNESIUM
|
|
S 16
|
|
1 0.2007364310E+07 0.2893089041E-05
|
|
2 0.3634185020E+06 0.1895341192E-04
|
|
3 0.8162708050E+05 0.1092119462E-03
|
|
4 0.2197683910E+05 0.4943623453E-03
|
|
5 0.6874922160E+04 0.1875682470E-02
|
|
6 0.2429744630E+04 0.6133092578E-02
|
|
7 0.9461361220E+03 0.1778010210E-01
|
|
8 0.3969978120E+03 0.4615887394E-01
|
|
9 0.1760261780E+03 0.1066578986E+00
|
|
10 0.8108609100E+02 0.2103134769E+00
|
|
11 0.3824486900E+02 0.3237028057E+00
|
|
12 0.1824434400E+02 0.3088136848E+00
|
|
13 0.8713954000E+01 0.1203727017E+00
|
|
14 0.4133436000E+01 0.9583261295E-02
|
|
15 0.1935116000E+01 0.9544003962E-03
|
|
16 0.8901180000E+00 -0.7610500475E-03
|
|
S 12
|
|
1 0.3969978120E+03 -0.3992081105E-03
|
|
2 0.1760261780E+03 -0.1764829478E-02
|
|
3 0.8108609100E+02 -0.9015127349E-02
|
|
4 0.3824486900E+02 -0.3124636609E-01
|
|
5 0.1824434400E+02 -0.7479198270E-01
|
|
6 0.8713954000E+01 -0.3716108280E-01
|
|
7 0.4133436000E+01 0.1998480757E+00
|
|
8 0.1935116000E+01 0.4760901249E+00
|
|
9 0.8901180000E+00 0.3878846339E+00
|
|
10 0.4011180000E+00 0.6462276959E-01
|
|
11 0.1768300000E+00 -0.1775698745E-03
|
|
12 0.7625100000E-01 -0.1699454454E-03
|
|
S 8
|
|
1 0.8713954000E+01 0.8360273572E-03
|
|
2 0.4133436000E+01 -0.4229379451E-02
|
|
3 0.1935116000E+01 -0.2051446826E-01
|
|
4 0.8901180000E+00 -0.1012859385E+00
|
|
5 0.4011180000E+00 -0.8386112184E-01
|
|
6 0.1768300000E+00 0.2529391111E+00
|
|
7 0.7625100000E-01 0.5993677068E+00
|
|
8 0.3219600000E-01 0.3002003336E+00
|
|
S 1
|
|
1 0.1431801000E+01 0.1000000000E+01
|
|
S 1
|
|
1 0.7138660000E+00 0.1000000000E+01
|
|
S 1
|
|
1 0.3559190000E+00 0.1000000000E+01
|
|
S 1
|
|
1 0.1774530000E+00 0.1000000000E+01
|
|
S 1
|
|
1 0.8847500000E-01 0.1000000000E+01
|
|
S 1
|
|
1 0.1359434500E-01 0.1000000000E+01
|
|
P 14
|
|
1 0.3502123330E+04 0.3046260492E-04
|
|
2 0.8772371020E+03 0.2623109781E-03
|
|
3 0.2773754750E+03 0.1611734727E-02
|
|
4 0.1038982840E+03 0.7079656626E-02
|
|
5 0.4379622800E+02 0.2396191341E-01
|
|
6 0.1994920100E+02 0.6618952919E-01
|
|
7 0.9517427000E+01 0.1477538268E+00
|
|
8 0.4646593000E+01 0.2499706263E+00
|
|
9 0.2283264000E+01 0.3169562459E+00
|
|
10 0.1116446000E+01 0.2813953302E+00
|
|
11 0.5391380000E+00 0.1268703639E+00
|
|
12 0.2558170000E+00 0.1661488774E-01
|
|
13 0.1187890000E+00 0.1459822404E-02
|
|
14 0.5374700000E-01 -0.1251538129E-03
|
|
P 8
|
|
1 0.4646593000E+01 -0.1661668621E-02
|
|
2 0.2283264000E+01 -0.1300195190E-02
|
|
3 0.1116446000E+01 -0.8552886669E-02
|
|
4 0.5391380000E+00 -0.2191650021E-02
|
|
5 0.2558170000E+00 0.1070500855E+00
|
|
6 0.1187890000E+00 0.3592155177E+00
|
|
7 0.5374700000E-01 0.4785198987E+00
|
|
8 0.2355300000E-01 0.1761158860E+00
|
|
P 1
|
|
1 0.9535330000E+00 0.1000000000E+01
|
|
P 1
|
|
1 0.5142540000E+00 0.1000000000E+01
|
|
P 1
|
|
1 0.2773440000E+00 0.1000000000E+01
|
|
P 1
|
|
1 0.1495760000E+00 0.1000000000E+01
|
|
P 1
|
|
1 0.8066800000E-01 0.1000000000E+01
|
|
P 1
|
|
1 0.1032139100E-01 0.1000000000E+01
|
|
D 1
|
|
1 0.3784819000E+01 0.1000000000E+01
|
|
D 1
|
|
1 0.9609460000E+00 0.1000000000E+01
|
|
D 1
|
|
1 0.5243970000E+00 0.1000000000E+01
|
|
D 1
|
|
1 0.2861690000E+00 0.1000000000E+01
|
|
D 1
|
|
1 0.1561650000E+00 0.1000000000E+01
|
|
D 1
|
|
1 0.8522100000E-01 0.1000000000E+01
|
|
D 1
|
|
1 0.4650600000E-01 0.1000000000E+01
|
|
F 1
|
|
1 0.6331140000E+00 0.1000000000E+01
|
|
F 1
|
|
1 0.3647180000E+00 0.1000000000E+01
|
|
F 1
|
|
1 0.2101030000E+00 0.1000000000E+01
|
|
F 1
|
|
1 0.1210340000E+00 0.1000000000E+01
|
|
F 1
|
|
1 0.6972400000E-01 0.1000000000E+01
|
|
G 1
|
|
1 0.5051810000E+00 0.1000000000E+01
|
|
G 1
|
|
1 0.2883320000E+00 0.1000000000E+01
|
|
G 1
|
|
1 0.1645660000E+00 0.1000000000E+01
|
|
G 1
|
|
1 0.9392630000E-01 0.1000000000E+01
|
|
H 1
|
|
1 0.4511720000E+00 0.1000000000E+01
|
|
H 1
|
|
1 0.2321610000E+00 0.1000000000E+01
|
|
H 1
|
|
1 0.1194630000E+00 0.1000000000E+01
|
|
I 1
|
|
1 0.3604324630E+00 0.1000000000E+01
|
|
|
|
ALUMINIUM
|
|
S 16
|
|
1 0.2691033414E+07 0.2463385781E-05
|
|
2 0.4833260206E+06 0.1630099447E-04
|
|
3 0.1082378957E+06 0.9403392923E-04
|
|
4 0.2911581088E+05 0.4259979802E-03
|
|
5 0.9102369492E+04 0.1618663145E-02
|
|
6 0.3212656688E+04 0.5314103796E-02
|
|
7 0.1248184124E+04 0.1550613813E-01
|
|
8 0.5222745810E+03 0.4068351923E-01
|
|
9 0.2309813780E+03 0.9545597756E-01
|
|
10 0.1062636350E+03 0.1929040536E+00
|
|
11 0.5017448000E+02 0.3094571462E+00
|
|
12 0.2404312600E+02 0.3226017235E+00
|
|
13 0.1158392900E+02 0.1501713442E+00
|
|
14 0.5568290000E+01 0.1712310654E-01
|
|
15 0.2653378000E+01 0.1382961869E-02
|
|
16 0.1246619000E+01 -0.5492954404E-03
|
|
S 12
|
|
1 0.1248184124E+04 -0.4514544957E-04
|
|
2 0.5222745810E+03 -0.3016418635E-03
|
|
3 0.2309813780E+03 -0.1665390853E-02
|
|
4 0.1062636350E+03 -0.7777428806E-02
|
|
5 0.5017448000E+02 -0.2793956331E-01
|
|
6 0.2404312600E+02 -0.7109946554E-01
|
|
7 0.1158392900E+02 -0.5595584535E-01
|
|
8 0.5568290000E+01 0.1539046472E+00
|
|
9 0.2653378000E+01 0.4563647833E+00
|
|
10 0.1246619000E+01 0.4306175898E+00
|
|
11 0.5747470000E+00 0.9119683661E-01
|
|
12 0.2589130000E+00 -0.2090244723E-04
|
|
S 8
|
|
1 0.1158392900E+02 0.1162767096E-02
|
|
2 0.5568290000E+01 -0.3889592154E-02
|
|
3 0.2653378000E+01 -0.2299236265E-01
|
|
4 0.1246619000E+01 -0.1210893644E+00
|
|
5 0.5747470000E+00 -0.8883962430E-01
|
|
6 0.2589130000E+00 0.3183327742E+00
|
|
7 0.1134830000E+00 0.6012348086E+00
|
|
8 0.4818300000E-01 0.2501829396E+00
|
|
S 1
|
|
1 0.2564362000E+01 0.1000000000E+01
|
|
S 1
|
|
1 0.1248865000E+01 0.1000000000E+01
|
|
S 1
|
|
1 0.6082070000E+00 0.1000000000E+01
|
|
S 1
|
|
1 0.2962020000E+00 0.1000000000E+01
|
|
S 1
|
|
1 0.1442530000E+00 0.1000000000E+01
|
|
S 1
|
|
1 0.2151874722E-01 0.1000000000E+01
|
|
P 14
|
|
1 0.6428155607E+04 0.1452097648E-04
|
|
2 0.1650558501E+04 0.1215216988E-03
|
|
3 0.5224842310E+03 0.7667212339E-03
|
|
4 0.1942810390E+03 0.3553306792E-02
|
|
5 0.8144941200E+02 0.1280195247E-01
|
|
6 0.3719810700E+02 0.3749269660E-01
|
|
7 0.1798934800E+02 0.9168502035E-01
|
|
8 0.9003077000E+01 0.1800615070E+00
|
|
9 0.4578478000E+01 0.2722431627E+00
|
|
10 0.2332684000E+01 0.3138477673E+00
|
|
11 0.1177993000E+01 0.2340109233E+00
|
|
12 0.5849900000E+00 0.7600342702E-01
|
|
13 0.2840400000E+00 0.6489178077E-02
|
|
14 0.1342790000E+00 0.8515064645E-03
|
|
P 9
|
|
1 0.9003077000E+01 -0.1338959699E-02
|
|
2 0.4578478000E+01 -0.1576746799E-02
|
|
3 0.2332684000E+01 -0.5324283779E-02
|
|
4 0.1177993000E+01 -0.9122604392E-02
|
|
5 0.5849900000E+00 0.3505698731E-01
|
|
6 0.2840400000E+00 0.1908677148E+00
|
|
7 0.1342790000E+00 0.3831624231E+00
|
|
8 0.6160100000E-01 0.4024454076E+00
|
|
9 0.2733900000E-01 0.1338553049E+00
|
|
P 1
|
|
1 0.1251077000E+01 0.1000000000E+01
|
|
P 1
|
|
1 0.6742950000E+00 0.1000000000E+01
|
|
P 1
|
|
1 0.3634250000E+00 0.1000000000E+01
|
|
P 1
|
|
1 0.1958760000E+00 0.1000000000E+01
|
|
P 1
|
|
1 0.1055720000E+00 0.1000000000E+01
|
|
P 1
|
|
1 0.1296750437E-01 0.1000000000E+01
|
|
D 1
|
|
1 0.5884257397E+01 0.1000000000E+01
|
|
D 1
|
|
1 0.1455653000E+01 0.1000000000E+01
|
|
D 1
|
|
1 0.7075470000E+00 0.1000000000E+01
|
|
D 1
|
|
1 0.3439170000E+00 0.1000000000E+01
|
|
D 1
|
|
1 0.1671670000E+00 0.1000000000E+01
|
|
D 1
|
|
1 0.8125500000E-01 0.1000000000E+01
|
|
D 1
|
|
1 0.3949500000E-01 0.1000000000E+01
|
|
F 1
|
|
1 0.8008070000E+00 0.1000000000E+01
|
|
F 1
|
|
1 0.4489100000E+00 0.1000000000E+01
|
|
F 1
|
|
1 0.2516470000E+00 0.1000000000E+01
|
|
F 1
|
|
1 0.1410660000E+00 0.1000000000E+01
|
|
F 1
|
|
1 0.7907750000E-01 0.1000000000E+01
|
|
G 1
|
|
1 0.6553060000E+00 0.1000000000E+01
|
|
G 1
|
|
1 0.3691050000E+00 0.1000000000E+01
|
|
G 1
|
|
1 0.2079010000E+00 0.1000000000E+01
|
|
G 1
|
|
1 0.1171010000E+00 0.1000000000E+01
|
|
H 1
|
|
1 0.6322100000E+00 0.1000000000E+01
|
|
H 1
|
|
1 0.3088190000E+00 0.1000000000E+01
|
|
H 1
|
|
1 0.1508500000E+00 0.1000000000E+01
|
|
I 1
|
|
1 0.5013873516E+00 0.1000000000E+01
|
|
|
|
SILICON
|
|
S 16
|
|
1 0.3278087607E+07 0.2326173765E-05
|
|
2 0.5862916551E+06 0.1545038618E-04
|
|
3 0.1314692862E+06 0.8871440913E-04
|
|
4 0.3550223478E+05 0.3994430847E-03
|
|
5 0.1114788437E+05 0.1509243932E-02
|
|
6 0.3949236946E+04 0.4938304080E-02
|
|
7 0.1538166331E+04 0.1440039166E-01
|
|
8 0.6444181730E+03 0.3789539735E-01
|
|
9 0.2851307190E+03 0.8953017224E-01
|
|
10 0.1312243860E+03 0.1832697122E+00
|
|
11 0.6203259200E+02 0.3005001450E+00
|
|
12 0.2981064900E+02 0.3278731757E+00
|
|
13 0.1443989000E+02 0.1673905094E+00
|
|
14 0.6999846000E+01 0.2301066405E-01
|
|
15 0.3374781000E+01 0.1634563171E-02
|
|
16 0.1609004000E+01 -0.3271627439E-03
|
|
S 12
|
|
1 0.1538166331E+04 -0.4094738185E-04
|
|
2 0.6444181730E+03 -0.2735506268E-03
|
|
3 0.2851307190E+03 -0.1523008168E-02
|
|
4 0.1312243860E+03 -0.7194199494E-02
|
|
5 0.6203259200E+02 -0.2623934988E-01
|
|
6 0.2981064900E+02 -0.6913248098E-01
|
|
7 0.1443989000E+02 -0.6454883822E-01
|
|
8 0.6999846000E+01 0.1299302391E+00
|
|
9 0.3374781000E+01 0.4460987272E+00
|
|
10 0.1609004000E+01 0.4503602875E+00
|
|
11 0.7543630000E+00 0.1047709497E+00
|
|
12 0.3457160000E+00 0.9282368916E-03
|
|
S 8
|
|
1 0.1443989000E+02 0.1405210131E-02
|
|
2 0.6999846000E+01 -0.3633094457E-02
|
|
3 0.3374781000E+01 -0.2580567817E-01
|
|
4 0.1609004000E+01 -0.1372209743E+00
|
|
5 0.7543630000E+00 -0.8141831745E-01
|
|
6 0.3457160000E+00 0.3543902111E+00
|
|
7 0.1538300000E+00 0.5913797920E+00
|
|
8 0.6592900000E-01 0.2297738443E+00
|
|
S 1
|
|
1 0.3480820000E+01 0.1000000000E+01
|
|
S 1
|
|
1 0.1675129000E+01 0.1000000000E+01
|
|
S 1
|
|
1 0.8061480000E+00 0.1000000000E+01
|
|
S 1
|
|
1 0.3879550000E+00 0.1000000000E+01
|
|
S 1
|
|
1 0.1867020000E+00 0.1000000000E+01
|
|
S 1
|
|
1 0.3144210536E-01 0.1000000000E+01
|
|
P 14
|
|
1 0.7978180789E+04 0.1360544182E-04
|
|
2 0.2038018392E+04 0.1146795924E-03
|
|
3 0.6451730070E+03 0.7223722858E-03
|
|
4 0.2404131960E+03 0.3348003716E-02
|
|
5 0.1010350830E+03 0.1213121791E-01
|
|
6 0.4623920200E+02 0.3588034565E-01
|
|
7 0.2240510000E+02 0.8886178955E-01
|
|
8 0.1124203200E+02 0.1774747416E+00
|
|
9 0.5741998000E+01 0.2729325562E+00
|
|
10 0.2946886000E+01 0.3175493057E+00
|
|
11 0.1504934000E+01 0.2329889531E+00
|
|
12 0.7591270000E+00 0.7319452846E-01
|
|
13 0.3759820000E+00 0.6380504166E-02
|
|
14 0.1818530000E+00 0.7241658695E-03
|
|
P 9
|
|
1 0.1124203200E+02 -0.1782353668E-02
|
|
2 0.5741998000E+01 -0.2265507170E-02
|
|
3 0.2946886000E+01 -0.7442549853E-02
|
|
4 0.1504934000E+01 -0.8513977465E-02
|
|
5 0.7591270000E+00 0.5600301100E-01
|
|
6 0.3759820000E+00 0.2345994731E+00
|
|
7 0.1818530000E+00 0.4008984087E+00
|
|
8 0.8539900000E-01 0.3531020771E+00
|
|
9 0.3866300000E-01 0.9910625176E-01
|
|
P 1
|
|
1 0.1726075000E+01 0.1000000000E+01
|
|
P 1
|
|
1 0.9272270000E+00 0.1000000000E+01
|
|
P 1
|
|
1 0.4980960000E+00 0.1000000000E+01
|
|
P 1
|
|
1 0.2675710000E+00 0.1000000000E+01
|
|
P 1
|
|
1 0.1437360000E+00 0.1000000000E+01
|
|
P 1
|
|
1 0.2330578441E-01 0.1000000000E+01
|
|
D 1
|
|
1 0.8100676155E+01 0.1000000000E+01
|
|
D 1
|
|
1 0.2163891000E+01 0.1000000000E+01
|
|
D 1
|
|
1 0.1029245000E+01 0.1000000000E+01
|
|
D 1
|
|
1 0.4895560000E+00 0.1000000000E+01
|
|
D 1
|
|
1 0.2328550000E+00 0.1000000000E+01
|
|
D 1
|
|
1 0.1107570000E+00 0.1000000000E+01
|
|
D 1
|
|
1 0.5268130000E-01 0.1000000000E+01
|
|
F 1
|
|
1 0.9770500000E+00 0.1000000000E+01
|
|
F 1
|
|
1 0.5531270000E+00 0.1000000000E+01
|
|
F 1
|
|
1 0.3131360000E+00 0.1000000000E+01
|
|
F 1
|
|
1 0.1772720000E+00 0.1000000000E+01
|
|
F 1
|
|
1 0.1003560000E+00 0.1000000000E+01
|
|
G 1
|
|
1 0.8608860000E+00 0.1000000000E+01
|
|
G 1
|
|
1 0.4824630000E+00 0.1000000000E+01
|
|
G 1
|
|
1 0.2703850000E+00 0.1000000000E+01
|
|
G 1
|
|
1 0.1515300000E+00 0.1000000000E+01
|
|
H 1
|
|
1 0.8177490000E+00 0.1000000000E+01
|
|
H 1
|
|
1 0.4143360000E+00 0.1000000000E+01
|
|
H 1
|
|
1 0.2099350000E+00 0.1000000000E+01
|
|
I 1
|
|
1 0.6716405691E+00 0.1000000000E+01
|
|
|
|
PHOSPHORUS
|
|
S 16
|
|
1 0.3929858832E+07 0.2216459898E-05
|
|
2 0.6959402712E+06 0.1490664241E-04
|
|
3 0.1554781881E+06 0.8569867682E-04
|
|
4 0.4197167398E+05 0.3854463448E-03
|
|
5 0.1319345779E+05 0.1453502567E-02
|
|
6 0.4679582622E+04 0.4750966099E-02
|
|
7 0.1823903459E+04 0.1386041860E-01
|
|
8 0.7641479030E+03 0.3656242693E-01
|
|
9 0.3379621250E+03 0.8675973568E-01
|
|
10 0.1554792570E+03 0.1788148744E+00
|
|
11 0.7352231100E+02 0.2961591143E+00
|
|
12 0.3539413300E+02 0.3295335414E+00
|
|
13 0.1721043200E+02 0.1755411550E+00
|
|
14 0.8396694000E+01 0.2645622107E-01
|
|
15 0.4085814000E+01 0.1788408708E-02
|
|
16 0.1971310000E+01 -0.1660632604E-03
|
|
S 12
|
|
1 0.1823903459E+04 -0.3933727280E-04
|
|
2 0.7641479030E+03 -0.2634748424E-03
|
|
3 0.3379621250E+03 -0.1475437624E-02
|
|
4 0.1554792570E+03 -0.7021710393E-02
|
|
5 0.7352231100E+02 -0.2580241448E-01
|
|
6 0.3539413300E+02 -0.6883039390E-01
|
|
7 0.1721043200E+02 -0.6851199956E-01
|
|
8 0.8396694000E+01 0.1196030820E+00
|
|
9 0.4085814000E+01 0.4443901888E+00
|
|
10 0.1971310000E+01 0.4570353484E+00
|
|
11 0.9371520000E+00 0.1088694049E+00
|
|
12 0.4358140000E+00 0.2023365360E-02
|
|
S 8
|
|
1 0.1721043200E+02 0.1586902246E-02
|
|
2 0.8396694000E+01 -0.3465689835E-02
|
|
3 0.4085814000E+01 -0.2983632197E-01
|
|
4 0.1971310000E+01 -0.1513865870E+00
|
|
5 0.9371520000E+00 -0.6644200686E-01
|
|
6 0.4358140000E+00 0.3805361895E+00
|
|
7 0.1965330000E+00 0.5799129719E+00
|
|
8 0.8502300000E-01 0.2146468429E+00
|
|
S 1
|
|
1 0.4438431000E+01 0.1000000000E+01
|
|
S 1
|
|
1 0.2110053000E+01 0.1000000000E+01
|
|
S 1
|
|
1 0.1003130000E+01 0.1000000000E+01
|
|
S 1
|
|
1 0.4768930000E+00 0.1000000000E+01
|
|
S 1
|
|
1 0.2267170000E+00 0.1000000000E+01
|
|
S 1
|
|
1 0.3799311909E-01 0.1000000000E+01
|
|
P 14
|
|
1 0.9631238673E+04 0.1304998530E-04
|
|
2 0.2443673199E+04 0.1111260621E-03
|
|
3 0.7725592400E+03 0.7001415285E-03
|
|
4 0.2881608530E+03 0.3245964062E-02
|
|
5 0.1212787450E+03 0.1181160072E-01
|
|
6 0.5557181600E+02 0.3519384562E-01
|
|
7 0.2695606200E+02 0.8793716989E-01
|
|
8 0.1354680000E+02 0.1773810949E+00
|
|
9 0.6940216000E+01 0.2753082858E+00
|
|
10 0.3581544000E+01 0.3202817867E+00
|
|
11 0.1845262000E+01 0.2288580351E+00
|
|
12 0.9425110000E+00 0.6893282571E-01
|
|
13 0.4742660000E+00 0.6102592157E-02
|
|
14 0.2335310000E+00 0.6062270625E-03
|
|
P 9
|
|
1 0.1354680000E+02 -0.2188045530E-02
|
|
2 0.6940216000E+01 -0.2915483052E-02
|
|
3 0.3581544000E+01 -0.9416852701E-02
|
|
4 0.1845262000E+01 -0.6485752668E-02
|
|
5 0.9425110000E+00 0.7562948655E-01
|
|
6 0.4742660000E+00 0.2639947207E+00
|
|
7 0.2335310000E+00 0.4021671257E+00
|
|
8 0.1115950000E+00 0.3185572025E+00
|
|
9 0.5118300000E-01 0.8142592737E-01
|
|
P 1
|
|
1 0.2246925000E+01 0.1000000000E+01
|
|
P 1
|
|
1 0.1204318000E+01 0.1000000000E+01
|
|
P 1
|
|
1 0.6454960000E+00 0.1000000000E+01
|
|
P 1
|
|
1 0.3459760000E+00 0.1000000000E+01
|
|
P 1
|
|
1 0.1854380000E+00 0.1000000000E+01
|
|
P 1
|
|
1 0.3098702667E-01 0.1000000000E+01
|
|
D 1
|
|
1 0.1043784201E+02 0.1000000000E+01
|
|
D 1
|
|
1 0.2767675000E+01 0.1000000000E+01
|
|
D 1
|
|
1 0.1318695000E+01 0.1000000000E+01
|
|
D 1
|
|
1 0.6283090000E+00 0.1000000000E+01
|
|
D 1
|
|
1 0.2993660000E+00 0.1000000000E+01
|
|
D 1
|
|
1 0.1426370000E+00 0.1000000000E+01
|
|
D 1
|
|
1 0.6796130000E-01 0.1000000000E+01
|
|
F 1
|
|
1 0.1061557000E+01 0.1000000000E+01
|
|
F 1
|
|
1 0.6278110000E+00 0.1000000000E+01
|
|
F 1
|
|
1 0.3712910000E+00 0.1000000000E+01
|
|
F 1
|
|
1 0.2195840000E+00 0.1000000000E+01
|
|
F 1
|
|
1 0.1298630000E+00 0.1000000000E+01
|
|
G 1
|
|
1 0.1102693000E+01 0.1000000000E+01
|
|
G 1
|
|
1 0.6155980000E+00 0.1000000000E+01
|
|
G 1
|
|
1 0.3436690000E+00 0.1000000000E+01
|
|
G 1
|
|
1 0.1918590000E+00 0.1000000000E+01
|
|
H 1
|
|
1 0.1065656000E+01 0.1000000000E+01
|
|
H 1
|
|
1 0.5411670000E+00 0.1000000000E+01
|
|
H 1
|
|
1 0.2748180000E+00 0.1000000000E+01
|
|
I 1
|
|
1 0.8601457358E+00 0.1000000000E+01
|
|
|
|
SULFUR
|
|
S 16
|
|
1 0.4629258259E+07 0.2127823295E-05
|
|
2 0.8180810863E+06 0.1433547964E-04
|
|
3 0.1828939584E+06 0.8222995182E-04
|
|
4 0.4945488659E+05 0.3689675763E-03
|
|
5 0.1556808599E+05 0.1389567654E-02
|
|
6 0.5524975733E+04 0.4544543331E-02
|
|
7 0.2152357647E+04 0.1329090818E-01
|
|
8 0.9005277280E+03 0.3521239684E-01
|
|
9 0.3975585030E+03 0.8405792559E-01
|
|
10 0.1825934460E+03 0.1746159595E+00
|
|
11 0.8627156200E+02 0.2922359868E+00
|
|
12 0.4155746500E+02 0.3311833505E+00
|
|
13 0.2025981300E+02 0.1831417899E+00
|
|
14 0.9932569000E+01 0.2980882812E-01
|
|
15 0.4867590000E+01 0.1942195134E-02
|
|
16 0.2369486000E+01 -0.2254679608E-04
|
|
S 12
|
|
1 0.2152357647E+04 -0.3728949313E-04
|
|
2 0.9005277280E+03 -0.2517869361E-03
|
|
3 0.3975585030E+03 -0.1421171364E-02
|
|
4 0.1825934460E+03 -0.6830632881E-02
|
|
5 0.8627156200E+02 -0.2533209797E-01
|
|
6 0.4155746500E+02 -0.6846766154E-01
|
|
7 0.2025981300E+02 -0.7202640866E-01
|
|
8 0.9932569000E+01 0.1104363616E+00
|
|
9 0.4867590000E+01 0.4429911110E+00
|
|
10 0.2369486000E+01 0.4629145413E+00
|
|
11 0.1137474000E+01 0.1125426273E+00
|
|
12 0.5337730000E+00 0.2866499614E-02
|
|
S 8
|
|
1 0.2025981300E+02 0.1731192637E-02
|
|
2 0.9932569000E+01 -0.3181627525E-02
|
|
3 0.4867590000E+01 -0.3366062666E-01
|
|
4 0.2369486000E+01 -0.1628029687E+00
|
|
5 0.1137474000E+01 -0.5361924710E-01
|
|
6 0.5337730000E+00 0.4064631011E+00
|
|
7 0.2421720000E+00 0.5705603997E+00
|
|
8 0.1047700000E+00 0.1975236390E+00
|
|
S 1
|
|
1 0.5217575000E+01 0.1000000000E+01
|
|
S 1
|
|
1 0.2560082000E+01 0.1000000000E+01
|
|
S 1
|
|
1 0.1256142000E+01 0.1000000000E+01
|
|
S 1
|
|
1 0.6163450000E+00 0.1000000000E+01
|
|
S 1
|
|
1 0.3024190000E+00 0.1000000000E+01
|
|
S 1
|
|
1 0.5013773021E-01 0.1000000000E+01
|
|
P 14
|
|
1 0.1098201590E+05 0.1338770112E-04
|
|
2 0.2810161470E+04 0.1125413152E-03
|
|
3 0.8899892840E+03 0.7105147120E-03
|
|
4 0.3313693860E+03 0.3316469293E-02
|
|
5 0.1390468560E+03 0.1217351912E-01
|
|
6 0.6354684600E+02 0.3650522783E-01
|
|
7 0.3078420700E+02 0.9135474937E-01
|
|
8 0.1547650600E+02 0.1834178641E+00
|
|
9 0.7944563000E+01 0.2827684085E+00
|
|
10 0.4112728000E+01 0.3223268723E+00
|
|
11 0.2126533000E+01 0.2160045799E+00
|
|
12 0.1089587000E+01 0.5807153267E-01
|
|
13 0.5492260000E+00 0.4639184200E-02
|
|
14 0.2702790000E+00 0.4426862668E-03
|
|
P 9
|
|
1 0.1547650600E+02 -0.2669378516E-02
|
|
2 0.7944563000E+01 -0.3558487301E-02
|
|
3 0.4112728000E+01 -0.1190843441E-01
|
|
4 0.2126533000E+01 -0.1115107458E-03
|
|
5 0.1089587000E+01 0.1091317561E+00
|
|
6 0.5492260000E+00 0.2940162813E+00
|
|
7 0.2702790000E+00 0.3870491933E+00
|
|
8 0.1286730000E+00 0.2862230908E+00
|
|
9 0.5857400000E-01 0.7150220367E-01
|
|
P 1
|
|
1 0.2920490000E+01 0.1000000000E+01
|
|
P 1
|
|
1 0.1489703000E+01 0.1000000000E+01
|
|
P 1
|
|
1 0.7598770000E+00 0.1000000000E+01
|
|
P 1
|
|
1 0.3876030000E+00 0.1000000000E+01
|
|
P 1
|
|
1 0.1977110000E+00 0.1000000000E+01
|
|
P 1
|
|
1 0.3868338333E-01 0.1000000000E+01
|
|
D 1
|
|
1 0.1280200790E+02 0.1000000000E+01
|
|
D 1
|
|
1 0.3576540000E+01 0.1000000000E+01
|
|
D 1
|
|
1 0.1682082000E+01 0.1000000000E+01
|
|
D 1
|
|
1 0.7910990000E+00 0.1000000000E+01
|
|
D 1
|
|
1 0.3720620000E+00 0.1000000000E+01
|
|
D 1
|
|
1 0.1749840000E+00 0.1000000000E+01
|
|
D 1
|
|
1 0.8229640000E-01 0.1000000000E+01
|
|
F 1
|
|
1 0.1415682000E+01 0.1000000000E+01
|
|
F 1
|
|
1 0.7956680000E+00 0.1000000000E+01
|
|
F 1
|
|
1 0.4471960000E+00 0.1000000000E+01
|
|
F 1
|
|
1 0.2513410000E+00 0.1000000000E+01
|
|
F 1
|
|
1 0.1412630000E+00 0.1000000000E+01
|
|
G 1
|
|
1 0.1334734000E+01 0.1000000000E+01
|
|
G 1
|
|
1 0.7166700000E+00 0.1000000000E+01
|
|
G 1
|
|
1 0.3848070000E+00 0.1000000000E+01
|
|
G 1
|
|
1 0.2066170000E+00 0.1000000000E+01
|
|
H 1
|
|
1 0.1291989000E+01 0.1000000000E+01
|
|
H 1
|
|
1 0.5976090000E+00 0.1000000000E+01
|
|
H 1
|
|
1 0.2764230000E+00 0.1000000000E+01
|
|
I 1
|
|
1 0.1023735900E+01 0.1000000000E+01
|
|
|
|
CHLORINE
|
|
S 16
|
|
1 0.5318794213E+07 0.2087506525E-05
|
|
2 0.9374028503E+06 0.1409075946E-04
|
|
3 0.2099328815E+06 0.8045229457E-04
|
|
4 0.5699224286E+05 0.3587072731E-03
|
|
5 0.1802456268E+05 0.1342429318E-02
|
|
6 0.6424506240E+04 0.4368982553E-02
|
|
7 0.2511423070E+04 0.1274090005E-01
|
|
8 0.1053265800E+04 0.3374895264E-01
|
|
9 0.4656587630E+03 0.8079562464E-01
|
|
10 0.2140478620E+03 0.1690375599E+00
|
|
11 0.1012007850E+03 0.2865580459E+00
|
|
12 0.4879836800E+02 0.3330111614E+00
|
|
13 0.2383322100E+02 0.1931269476E+00
|
|
14 0.1171925100E+02 0.3428301432E-01
|
|
15 0.5767712000E+01 0.2147878771E-02
|
|
16 0.2822869000E+01 0.1446905038E-03
|
|
S 12
|
|
1 0.2511423068E+04 -0.3538917350E-04
|
|
2 0.1053265795E+04 -0.2384973559E-03
|
|
3 0.4656587630E+03 -0.1347306678E-02
|
|
4 0.2140478620E+03 -0.6523555892E-02
|
|
5 0.1012007850E+03 -0.2441274848E-01
|
|
6 0.4879836800E+02 -0.6731290528E-01
|
|
7 0.2383322100E+02 -0.7602485343E-01
|
|
8 0.1171925100E+02 0.9834439031E-01
|
|
9 0.5767712000E+01 0.4392003543E+00
|
|
10 0.2822869000E+01 0.4716246001E+00
|
|
11 0.1363313000E+01 0.1182506784E+00
|
|
12 0.6433940000E+00 0.3749139732E-02
|
|
S 9
|
|
1 0.4879836800E+02 0.4332487711E-03
|
|
2 0.2383322100E+02 0.1705109367E-02
|
|
3 0.1171925100E+02 -0.2598449136E-02
|
|
4 0.5767712000E+01 -0.3820420053E-01
|
|
5 0.2822869000E+01 -0.1721874432E+00
|
|
6 0.1363313000E+01 -0.4615773825E-01
|
|
7 0.6433940000E+00 0.4218740590E+00
|
|
8 0.2930250000E+00 0.5649326769E+00
|
|
9 0.1267500000E+00 0.1888049229E+00
|
|
S 1
|
|
1 0.6456710000E+01 0.1000000000E+01
|
|
S 1
|
|
1 0.3213776000E+01 0.1000000000E+01
|
|
S 1
|
|
1 0.1599632000E+01 0.1000000000E+01
|
|
S 1
|
|
1 0.7962040000E+00 0.1000000000E+01
|
|
S 1
|
|
1 0.3963040000E+00 0.1000000000E+01
|
|
S 1
|
|
1 0.6526282440E-01 0.1000000000E+01
|
|
P 14
|
|
1 0.1219948551E+05 0.1427430425E-04
|
|
2 0.3101553246E+04 0.1208584263E-03
|
|
3 0.9832474350E+03 0.7583393812E-03
|
|
4 0.3674988750E+03 0.3509042790E-02
|
|
5 0.1547962950E+03 0.1281725507E-01
|
|
6 0.7091209200E+02 0.3838700163E-01
|
|
7 0.3437361600E+02 0.9605778936E-01
|
|
8 0.1727092600E+02 0.1918413765E+00
|
|
9 0.8859030000E+01 0.2929190055E+00
|
|
10 0.4587647000E+01 0.3226630823E+00
|
|
11 0.2378170000E+01 0.1983270817E+00
|
|
12 0.1225256000E+01 0.4682764860E-01
|
|
13 0.6228670000E+00 0.3553397664E-02
|
|
14 0.3097250000E+00 0.2939584522E-03
|
|
P 10
|
|
1 0.3437361600E+02 -0.8779760742E-03
|
|
2 0.1727092600E+02 -0.2587705156E-02
|
|
3 0.8859030000E+01 -0.6750732757E-02
|
|
4 0.4587647000E+01 -0.1348819151E-01
|
|
5 0.2378170000E+01 0.7915071357E-02
|
|
6 0.1225256000E+01 0.1421546500E+00
|
|
7 0.6228670000E+00 0.3122545730E+00
|
|
8 0.3097250000E+00 0.3719998980E+00
|
|
9 0.1489280000E+00 0.2575076252E+00
|
|
10 0.6816900000E-01 0.6205820349E-01
|
|
P 1
|
|
1 0.3859972000E+01 0.1000000000E+01
|
|
P 1
|
|
1 0.1990128000E+01 0.1000000000E+01
|
|
P 1
|
|
1 0.1026072000E+01 0.1000000000E+01
|
|
P 1
|
|
1 0.5290230000E+00 0.1000000000E+01
|
|
P 1
|
|
1 0.2727540000E+00 0.1000000000E+01
|
|
P 1
|
|
1 0.4897339439E-01 0.1000000000E+01
|
|
D 1
|
|
1 0.1499555721E+02 0.1000000000E+01
|
|
D 1
|
|
1 0.5318611000E+01 0.1000000000E+01
|
|
D 1
|
|
1 0.2406816000E+01 0.1000000000E+01
|
|
D 1
|
|
1 0.1089150000E+01 0.1000000000E+01
|
|
D 1
|
|
1 0.4928700000E+00 0.1000000000E+01
|
|
D 1
|
|
1 0.2230370000E+00 0.1000000000E+01
|
|
D 1
|
|
1 0.1009300000E+00 0.1000000000E+01
|
|
F 1
|
|
1 0.2536010000E+01 0.1000000000E+01
|
|
F 1
|
|
1 0.1276516000E+01 0.1000000000E+01
|
|
F 1
|
|
1 0.6425420000E+00 0.1000000000E+01
|
|
F 1
|
|
1 0.3234270000E+00 0.1000000000E+01
|
|
F 1
|
|
1 0.1627980000E+00 0.1000000000E+01
|
|
G 1
|
|
1 0.1539597000E+01 0.1000000000E+01
|
|
G 1
|
|
1 0.8199240000E+00 0.1000000000E+01
|
|
G 1
|
|
1 0.4366570000E+00 0.1000000000E+01
|
|
G 1
|
|
1 0.2325450000E+00 0.1000000000E+01
|
|
H 1
|
|
1 0.1576638000E+01 0.1000000000E+01
|
|
H 1
|
|
1 0.7281370000E+00 0.1000000000E+01
|
|
H 1
|
|
1 0.3362740000E+00 0.1000000000E+01
|
|
I 1
|
|
1 0.1242441885E+01 0.1000000000E+01
|
|
|
|
ARGON
|
|
S 16
|
|
1 0.5845635030E+07 0.2139273512E-05
|
|
2 0.1034883655E+07 0.1433490759E-04
|
|
3 0.2328368189E+06 0.8137822029E-04
|
|
4 0.6346730864E+05 0.3610386902E-03
|
|
5 0.2013511381E+05 0.1346726724E-02
|
|
6 0.7191600770E+04 0.4375157144E-02
|
|
7 0.2814403415E+04 0.1275222402E-01
|
|
8 0.1180819442E+04 0.3378404770E-01
|
|
9 0.5221011460E+03 0.8090288993E-01
|
|
10 0.2400453680E+03 0.1692156716E+00
|
|
11 0.1135832460E+03 0.2864382501E+00
|
|
12 0.5486795200E+02 0.3321132559E+00
|
|
13 0.2688189400E+02 0.1930001321E+00
|
|
14 0.1328030000E+02 0.3480586159E-01
|
|
15 0.6576815000E+01 0.2209138607E-02
|
|
16 0.3243273000E+01 0.2282152655E-03
|
|
S 12
|
|
1 0.1180819442E+04 -0.2632363444E-03
|
|
2 0.5221011460E+03 -0.1226855715E-02
|
|
3 0.2400453680E+03 -0.6607259871E-02
|
|
4 0.1135832460E+03 -0.2455023137E-01
|
|
5 0.5486795200E+02 -0.6807614498E-01
|
|
6 0.2688189400E+02 -0.7633125233E-01
|
|
7 0.1328030000E+02 0.9895659130E-01
|
|
8 0.6576815000E+01 0.4442085750E+00
|
|
9 0.3243273000E+01 0.4678452494E+00
|
|
10 0.1579521000E+01 0.1158548990E+00
|
|
11 0.7516810000E+00 0.4382048183E-02
|
|
12 0.3447810000E+00 0.5607566238E-03
|
|
S 10
|
|
1 0.1135832460E+03 0.1430816391E-03
|
|
2 0.5486795200E+02 0.6763551693E-03
|
|
3 0.2688189400E+02 0.2210960492E-02
|
|
4 0.1328030000E+02 -0.2992513239E-02
|
|
5 0.6576815000E+01 -0.4535705553E-01
|
|
6 0.3243273000E+01 -0.1827761618E+00
|
|
7 0.1579521000E+01 -0.2932574038E-01
|
|
8 0.7516810000E+00 0.4364143711E+00
|
|
9 0.3447810000E+00 0.5556982967E+00
|
|
10 0.1497620000E+00 0.1795344981E+00
|
|
S 1
|
|
1 0.7730885000E+01 0.1000000000E+01
|
|
S 1
|
|
1 0.3975466000E+01 0.1000000000E+01
|
|
S 1
|
|
1 0.2044310000E+01 0.1000000000E+01
|
|
S 1
|
|
1 0.1051249000E+01 0.1000000000E+01
|
|
S 1
|
|
1 0.5405850000E+00 0.1000000000E+01
|
|
S 1
|
|
1 0.6505189300E-01 0.1000000000E+01
|
|
P 14
|
|
1 0.1437434089E+05 0.1335492531E-04
|
|
2 0.3680390744E+04 0.1122143876E-03
|
|
3 0.1164840298E+04 0.7108641705E-03
|
|
4 0.4331796170E+03 0.3335262373E-02
|
|
5 0.1815645730E+03 0.1234393033E-01
|
|
6 0.8294312800E+02 0.3730038388E-01
|
|
7 0.4021201900E+02 0.9383385782E-01
|
|
8 0.2026448300E+02 0.1886258644E+00
|
|
9 0.1044619900E+02 0.2909666176E+00
|
|
10 0.5440600000E+01 0.3242900086E+00
|
|
11 0.2834850000E+01 0.2013078577E+00
|
|
12 0.1465436000E+01 0.4820627364E-01
|
|
13 0.7455340000E+00 0.3651140884E-02
|
|
14 0.3700130000E+00 0.2964187830E-03
|
|
P 10
|
|
1 0.4021201900E+02 -0.9179140476E-03
|
|
2 0.2026448300E+02 -0.2762694198E-02
|
|
3 0.1044619900E+02 -0.7380309891E-02
|
|
4 0.5440600000E+01 -0.1452275790E-01
|
|
5 0.2834850000E+01 0.1039341711E-01
|
|
6 0.1465436000E+01 0.1513734533E+00
|
|
7 0.7455340000E+00 0.3195147875E+00
|
|
8 0.3700130000E+00 0.3691076144E+00
|
|
9 0.1772560000E+00 0.2475408817E+00
|
|
10 0.8085800000E-01 0.5805278847E-01
|
|
P 1
|
|
1 0.4851405000E+01 0.1000000000E+01
|
|
P 1
|
|
1 0.2567584000E+01 0.1000000000E+01
|
|
P 1
|
|
1 0.1358882000E+01 0.1000000000E+01
|
|
P 1
|
|
1 0.7191820000E+00 0.1000000000E+01
|
|
P 1
|
|
1 0.3806240000E+00 0.1000000000E+01
|
|
P 1
|
|
1 0.3688459700E-01 0.1000000000E+01
|
|
D 1
|
|
1 0.2287543281E+02 0.1000000000E+01
|
|
D 1
|
|
1 0.6932630000E+01 0.1000000000E+01
|
|
D 1
|
|
1 0.3083174000E+01 0.1000000000E+01
|
|
D 1
|
|
1 0.1371191000E+01 0.1000000000E+01
|
|
D 1
|
|
1 0.6098150000E+00 0.1000000000E+01
|
|
D 1
|
|
1 0.2712050000E+00 0.1000000000E+01
|
|
D 1
|
|
1 0.1206130000E+00 0.1000000000E+01
|
|
F 1
|
|
1 0.3119778000E+01 0.1000000000E+01
|
|
F 1
|
|
1 0.1582266000E+01 0.1000000000E+01
|
|
F 1
|
|
1 0.8024820000E+00 0.1000000000E+01
|
|
F 1
|
|
1 0.4069970000E+00 0.1000000000E+01
|
|
F 1
|
|
1 0.2064170000E+00 0.1000000000E+01
|
|
G 1
|
|
1 0.1849011000E+01 0.1000000000E+01
|
|
G 1
|
|
1 0.9821190000E+00 0.1000000000E+01
|
|
G 1
|
|
1 0.5216610000E+00 0.1000000000E+01
|
|
G 1
|
|
1 0.2770840000E+00 0.1000000000E+01
|
|
H 1
|
|
1 0.1893751000E+01 0.1000000000E+01
|
|
H 1
|
|
1 0.8757230000E+00 0.1000000000E+01
|
|
H 1
|
|
1 0.4049580000E+00 0.1000000000E+01
|
|
I 1
|
|
1 0.1492667440E+01 0.1000000000E+01
|
|
$END |