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mirror of https://github.com/pfloos/quack synced 2024-11-05 13:43:51 +01:00
QuAcK/basis/cc-pv_5+d_z
2020-01-17 13:57:03 +01:00

656 lines
25 KiB
Plaintext

ALUMINUM
S 16
1 3269000.0000000 0.213962E-05
2 489400.0000000 0.166264E-04
3 111400.0000000 0.875168E-04
4 31560.0000000 0.368990E-03
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6 3731.0000000 0.435636E-02
7 1456.0000000 0.128955E-01
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9 263.5000000 0.843530E-01
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13 13.2600000 0.186927E+00
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15 2.9810000 -0.508922E-03
16 1.4760000 0.148836E-02
S 16
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2 489400.0000000 -0.432303E-05
3 111400.0000000 -0.227413E-04
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5 10320.0000000 -0.348376E-03
6 3731.0000000 -0.113836E-02
7 1456.0000000 -0.338744E-02
8 604.1000000 -0.931505E-02
9 263.5000000 -0.233023E-01
10 119.8000000 -0.523486E-01
11 56.3200000 -0.999499E-01
12 27.1900000 -0.150560E+00
13 13.2600000 -0.119121E+00
14 6.0520000 0.108091E+00
15 2.9810000 0.411129E+00
16 1.4760000 0.457214E+00
S 16
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2 489400.0000000 0.997514E-06
3 111400.0000000 0.525480E-05
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6 3731.0000000 0.262506E-03
7 1456.0000000 0.784220E-03
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10 119.8000000 0.121686E-01
11 56.3200000 0.236823E-01
12 27.1900000 0.360937E-01
13 13.2600000 0.303284E-01
14 6.0520000 -0.309034E-01
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16 1.4760000 -0.211145E+00
S 1
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S 1
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S 1
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S 1
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P 8
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P 8
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3 112.2000000 -0.174264E-02
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5 17.7200000 -0.202807E-01
6 7.8520000 -0.448657E-01
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P 1
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P 1
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P 1
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P 1
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D 1
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D 1
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D 1
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D 1
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D 1
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F 1
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F 1
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F 1
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G 1
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G 1
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H 1
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SILICON
S 16
1 3948000.0000000 0.203712E-05
2 591100.0000000 0.158394E-04
3 134500.0000000 0.833590E-04
4 38120.0000000 0.351361E-03
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9 318.0000000 0.809845E-01
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S 16
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11 67.9700000 -0.999091E-01
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S 16
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13 16.0300000 0.361476E-01
14 7.3960000 -0.303923E-01
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S 1
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S 1
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S 1
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P 8
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P 8
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P 1
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P 1
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P 1
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P 1
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D 1
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D 1
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D 1
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D 1
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F 1
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F 1
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F 1
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G 1
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G 1
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H 1
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PHOSPHORUS
S 16
1 4666000.0000000 0.196759E-05
2 698600.0000000 0.152963E-04
3 159000.0000000 0.804826E-04
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10 170.8000000 0.166458E+00
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13 18.9300000 0.203352E+00
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16 2.1740000 0.158744E-02
S 16
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2 698600.0000000 -0.415422E-05
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S 16
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S 1
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S 1
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S 1
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S 1
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P 8
1 2010.0000000 0.215915E-03
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P 8
1 2010.0000000 -0.511444E-04
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3 154.4000000 -0.242340E-02
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P 1
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P 1
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P 1
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P 1
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D 1
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D 1
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D 1
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D 1
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F 1
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F 1
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F 1
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G 1
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G 1
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H 1
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SULFUR
S 16
1 5481000.0000000 0.189338E-05
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S 16
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S 16
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S 1
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P 8
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P 8
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P 1
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P 1
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D 1
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F 1
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F 1
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G 1
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G 1
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H 1
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CHLORINE
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S 1
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S 1
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S 1
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S 1
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P 8
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P 8
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P 1
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D 1
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F 1
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F 1
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G 1
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G 1
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H 1
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ARGON
S 16
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3 252100.0000000 0.716297E-04
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14 14.1700000 0.500081E-01
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S 16
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S 16
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S 1
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P 8
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P 1
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F 1
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F 1
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G 1
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G 1
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H 1
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