mirror of
https://github.com/QuantumPackage/qp2.git
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1625 lines
57 KiB
Plaintext
1625 lines
57 KiB
Plaintext
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!----------------------------------------------------------------------
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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: 5ZaPa-NR
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! Description: Quintuple Zeta augmented + polarization
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! (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 9
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1 0.4728961400E+03 0.1592450921E-03
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2 0.1336328300E+03 0.7004505133E-03
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||
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3 0.3001475200E+02 0.4370309362E-02
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4 0.8522086000E+01 0.1742418311E-01
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5 0.2788447000E+01 0.6043193672E-01
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6 0.1003987000E+01 0.1699217301E+00
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7 0.3894020000E+00 0.3497736601E+00
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8 0.1598170000E+00 0.4026405372E+00
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||
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9 0.6696200000E-01 0.1393321071E+00
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|
|
S 1
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||
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|
1 0.1937228000E+01 0.1000000000E+01
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||
|
|
S 1
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||
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|
1 0.4989300000E+00 0.1000000000E+01
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||
|
|
S 1
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||
|
|
1 0.1853730000E+00 0.1000000000E+01
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||
|
|
S 1
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||
|
|
1 0.7151400000E-01 0.1000000000E+01
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||
|
|
S 1
|
||
|
|
1 0.2881300000E-01 0.1000000000E+01
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||
|
|
S 1
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||
|
|
1 0.1057600000E-01 0.1000000000E+01
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||
|
|
P 1
|
||
|
|
1 0.5468396000E+01 0.1000000000E+01
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||
|
|
P 1
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||
|
|
1 0.1843681000E+01 0.1000000000E+01
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||
|
|
P 1
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||
|
|
1 0.7068530000E+00 0.1000000000E+01
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||
|
|
P 1
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||
|
|
1 0.2533880000E+00 0.1000000000E+01
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||
|
|
P 1
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||
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|
1 0.9083280000E-01 0.1000000000E+01
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||
|
|
D 1
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||
|
|
1 0.2703225000E+01 0.1000000000E+01
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||
|
|
D 1
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||
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|
1 0.9452480000E+00 0.1000000000E+01
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||
|
|
D 1
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||
|
|
1 0.4109160000E+00 0.1000000000E+01
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||
|
|
D 1
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||
|
|
1 0.1786320000E+00 0.1000000000E+01
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||
|
|
F 1
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||
|
|
1 0.2832903000E+01 0.1000000000E+01
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||
|
|
F 1
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||
|
|
1 0.1030512000E+01 0.1000000000E+01
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||
|
|
F 1
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||
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|
1 0.3748645000E+00 0.1000000000E+01
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|
|
G 1
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||
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|
1 0.1476885483E+01 0.1000000000E+01
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|
|
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||
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|
HELIUM
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|
S 11
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1 0.9386607570E+04 0.2541698542E-04
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|
2 0.1435419670E+04 0.1985643591E-03
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||
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|
3 0.3182819180E+03 0.1076710461E-02
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||
|
|
4 0.9001348100E+02 0.4430665363E-02
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||
|
|
5 0.2970919700E+02 0.1544792591E-01
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||
|
|
6 0.1080428500E+02 0.4683120303E-01
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||
|
|
7 0.4183588000E+01 0.1194190671E+00
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||
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|
8 0.1692196000E+01 0.2369467612E+00
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|
9 0.7064170000E+00 0.3462347842E+00
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|
10 0.3003870000E+00 0.3110821362E+00
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|
11 0.1272440000E+00 0.9190013696E-01
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|
|
S 1
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||
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|
1 0.5105517000E+01 0.1000000000E+01
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|
|
S 1
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||
|
|
1 0.1813715000E+01 0.1000000000E+01
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||
|
|
S 1
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||
|
|
1 0.6443150000E+00 0.1000000000E+01
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||
|
|
S 1
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||
|
|
1 0.2288900000E+00 0.1000000000E+01
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||
|
|
S 1
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||
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|
1 0.5390058700E-01 0.1000000000E+01
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|
|
P 1
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||
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|
1 0.1048532900E+02 0.1000000000E+01
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|
|
P 1
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||
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|
1 0.3710406000E+01 0.1000000000E+01
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||
|
|
P 1
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||
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|
1 0.1312988000E+01 0.1000000000E+01
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|
|
P 1
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||
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|
1 0.4646220000E+00 0.1000000000E+01
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|
|
P 1
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||
|
|
1 0.1644130000E+00 0.1000000000E+01
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|
|
D 1
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||
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|
1 0.7288276000E+01 0.1000000000E+01
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||
|
|
D 1
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||
|
|
1 0.2477231000E+01 0.1000000000E+01
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|
|
D 1
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||
|
|
1 0.8419920000E+00 0.1000000000E+01
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||
|
|
D 1
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||
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|
1 0.2861860000E+00 0.1000000000E+01
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|
|
F 1
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||
|
|
1 0.4952266000E+01 0.1000000000E+01
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|
|
F 1
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||
|
|
1 0.1521701000E+01 0.1000000000E+01
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|
|
F 1
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||
|
|
1 0.4675786000E+00 0.1000000000E+01
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|
|
G 1
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|
1 0.3019662613E+01 0.1000000000E+01
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LITHIUM
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|
S 10
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1 0.8730000000E+04 0.6427624330E-04
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2 0.1993962785E+04 0.3562833636E-03
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|
3 0.4350209010E+03 0.2193023870E-02
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|
4 0.1194667800E+03 0.9180008142E-02
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|
|
5 0.3886311100E+02 0.3151893449E-01
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|
|
6 0.1419813700E+02 0.8915960783E-01
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|
7 0.5568863000E+01 0.2030621775E+00
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|
8 0.2262123000E+01 0.3508555294E+00
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9 0.9271220000E+00 0.3646339180E+00
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10 0.3774970000E+00 0.1114490623E+00
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S 7
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1 0.5568863000E+01 -0.2611655912E-02
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2 0.2262123000E+01 -0.1028009402E-01
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||
|
|
3 0.9271220000E+00 -0.4714146606E-01
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||
|
|
4 0.3774970000E+00 -0.9061771592E-01
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||
|
|
5 0.1520930000E+00 0.1078163977E+00
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||
|
|
6 0.6113900000E-01 0.6110183800E+00
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|
|
7 0.2504900000E-01 0.3945306471E+00
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|
|
S 1
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||
|
|
1 0.4134160000E+00 0.1000000000E+01
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|
|
S 1
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||
|
|
1 0.1652620000E+00 0.1000000000E+01
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||
|
|
S 1
|
||
|
|
1 0.6606300000E-01 0.1000000000E+01
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||
|
|
S 1
|
||
|
|
1 0.2640900000E-01 0.1000000000E+01
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||
|
|
S 1
|
||
|
|
1 0.7039890528E-02 0.1000000000E+01
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||
|
|
P 7
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||
|
|
1 0.1109297700E+02 0.1370401540E-02
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|
|
2 0.2552497000E+01 0.8883018393E-02
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||
|
|
3 0.7322110000E+00 0.3278204941E-01
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||
|
|
4 0.2431890000E+00 0.1142499250E+00
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||
|
|
5 0.9086400000E-01 0.3258762281E+00
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||
|
|
6 0.3737000000E-01 0.4868317542E+00
|
||
|
|
7 0.1604600000E-01 0.2108541151E+00
|
||
|
|
P 1
|
||
|
|
1 0.1817552000E+01 0.1000000000E+01
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||
|
|
P 1
|
||
|
|
1 0.6230500000E+00 0.1000000000E+01
|
||
|
|
P 1
|
||
|
|
1 0.2135800000E+00 0.1000000000E+01
|
||
|
|
P 1
|
||
|
|
1 0.7321400000E-01 0.1000000000E+01
|
||
|
|
P 1
|
||
|
|
1 0.6889861000E-02 0.1000000000E+01
|
||
|
|
D 1
|
||
|
|
1 0.4234580000E+00 0.1000000000E+01
|
||
|
|
D 1
|
||
|
|
1 0.2270570000E+00 0.1000000000E+01
|
||
|
|
D 1
|
||
|
|
1 0.1217470000E+00 0.1000000000E+01
|
||
|
|
D 1
|
||
|
|
1 0.6528000000E-01 0.1000000000E+01
|
||
|
|
D 1
|
||
|
|
1 0.3500200000E-01 0.1000000000E+01
|
||
|
|
F 1
|
||
|
|
1 0.3011770000E+00 0.1000000000E+01
|
||
|
|
F 1
|
||
|
|
1 0.1740290000E+00 0.1000000000E+01
|
||
|
|
F 1
|
||
|
|
1 0.1005600000E+00 0.1000000000E+01
|
||
|
|
F 1
|
||
|
|
1 0.5810700000E-01 0.1000000000E+01
|
||
|
|
G 1
|
||
|
|
1 0.2808840000E+00 0.1000000000E+01
|
||
|
|
G 1
|
||
|
|
1 0.1423510000E+00 0.1000000000E+01
|
||
|
|
G 1
|
||
|
|
1 0.7214290000E-01 0.1000000000E+01
|
||
|
|
H 1
|
||
|
|
1 0.2706720231E+00 0.1000000000E+01
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||
|
|
|
||
|
|
BERYLLIUM
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||
|
|
S 11
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||
|
|
1 0.3865394813E+05 0.2531530055E-04
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|
|
2 0.6509075143E+04 0.1819172070E-03
|
||
|
|
3 0.1420547134E+04 0.1056043149E-02
|
||
|
|
4 0.3842537920E+03 0.4617219041E-02
|
||
|
|
5 0.1232627120E+03 0.1640061048E-01
|
||
|
|
6 0.4494427200E+02 0.4848235640E-01
|
||
|
|
7 0.1790691100E+02 0.1211343103E+00
|
||
|
|
8 0.7526367000E+01 0.2440730978E+00
|
||
|
|
9 0.3239416000E+01 0.3705731810E+00
|
||
|
|
10 0.1395372000E+01 0.2953400720E+00
|
||
|
|
11 0.5925850000E+00 0.5635928973E-01
|
||
|
|
S 8
|
||
|
|
1 0.1790691100E+02 -0.1215816732E-02
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|
|
2 0.7526367000E+01 -0.5581140401E-02
|
||
|
|
3 0.3239416000E+01 -0.2438038797E-01
|
||
|
|
4 0.1395372000E+01 -0.7491586615E-01
|
||
|
|
5 0.5925850000E+00 -0.3095314060E-01
|
||
|
|
6 0.2466940000E+00 0.2817772674E+00
|
||
|
|
7 0.1011530000E+00 0.5671875594E+00
|
||
|
|
8 0.4153200000E-01 0.2684332275E+00
|
||
|
|
S 1
|
||
|
|
1 0.2113390000E+01 0.1000000000E+01
|
||
|
|
S 1
|
||
|
|
1 0.9434640000E+00 0.1000000000E+01
|
||
|
|
S 1
|
||
|
|
1 0.4211830000E+00 0.1000000000E+01
|
||
|
|
S 1
|
||
|
|
1 0.1880260000E+00 0.1000000000E+01
|
||
|
|
S 1
|
||
|
|
1 0.1705245500E-01 0.1000000000E+01
|
||
|
|
P 7
|
||
|
|
1 0.2507045100E+02 0.1607630739E-02
|
||
|
|
2 0.5846689000E+01 0.1135618080E-01
|
||
|
|
3 0.1745615000E+01 0.4498764258E-01
|
||
|
|
4 0.6058210000E+00 0.1467428549E+00
|
||
|
|
5 0.2314530000E+00 0.3542207949E+00
|
||
|
|
6 0.9367500000E-01 0.4536534958E+00
|
||
|
|
7 0.3826100000E-01 0.1907269469E+00
|
||
|
|
P 1
|
||
|
|
1 0.1222980000E+01 0.1000000000E+01
|
||
|
|
P 1
|
||
|
|
1 0.6156230000E+00 0.1000000000E+01
|
||
|
|
P 1
|
||
|
|
1 0.3098920000E+00 0.1000000000E+01
|
||
|
|
P 1
|
||
|
|
1 0.1559940000E+00 0.1000000000E+01
|
||
|
|
P 1
|
||
|
|
1 0.1562747900E-01 0.1000000000E+01
|
||
|
|
D 1
|
||
|
|
1 0.9564500000E+00 0.1000000000E+01
|
||
|
|
D 1
|
||
|
|
1 0.4865680000E+00 0.1000000000E+01
|
||
|
|
D 1
|
||
|
|
1 0.2475280000E+00 0.1000000000E+01
|
||
|
|
D 1
|
||
|
|
1 0.1259230000E+00 0.1000000000E+01
|
||
|
|
D 1
|
||
|
|
1 0.6405980000E-01 0.1000000000E+01
|
||
|
|
F 1
|
||
|
|
1 0.7026910000E+00 0.1000000000E+01
|
||
|
|
F 1
|
||
|
|
1 0.3591970000E+00 0.1000000000E+01
|
||
|
|
F 1
|
||
|
|
1 0.1836120000E+00 0.1000000000E+01
|
||
|
|
F 1
|
||
|
|
1 0.9385750000E-01 0.1000000000E+01
|
||
|
|
G 1
|
||
|
|
1 0.6098640000E+00 0.1000000000E+01
|
||
|
|
G 1
|
||
|
|
1 0.2789260000E+00 0.1000000000E+01
|
||
|
|
G 1
|
||
|
|
1 0.1275680000E+00 0.1000000000E+01
|
||
|
|
H 1
|
||
|
|
1 0.4646106307E+00 0.1000000000E+01
|
||
|
|
|
||
|
|
BORON
|
||
|
|
S 12
|
||
|
|
1 0.6403675355E+05 0.2400008349E-04
|
||
|
|
2 0.1072093487E+05 0.1734190839E-03
|
||
|
|
3 0.2340139208E+04 0.1004303675E-02
|
||
|
|
4 0.6336749090E+03 0.4390584461E-02
|
||
|
|
5 0.2032113480E+03 0.1565225562E-01
|
||
|
|
6 0.7395782100E+02 0.4670066633E-01
|
||
|
|
7 0.2940063700E+02 0.1183102716E+00
|
||
|
|
8 0.1234689800E+02 0.2426528847E+00
|
||
|
|
9 0.5326183000E+01 0.3715893024E+00
|
||
|
|
10 0.2308465000E+01 0.2967027504E+00
|
||
|
|
11 0.9896030000E+00 0.5867304665E-01
|
||
|
|
12 0.4159360000E+00 0.1708043835E-03
|
||
|
|
S 9
|
||
|
|
1 0.7395782100E+02 -0.2365222250E-03
|
||
|
|
2 0.2940063700E+02 -0.1336532083E-02
|
||
|
|
3 0.1234689800E+02 -0.7439014302E-02
|
||
|
|
4 0.5326183000E+01 -0.2927536301E-01
|
||
|
|
5 0.2308465000E+01 -0.8097505462E-01
|
||
|
|
6 0.9896030000E+00 -0.1014891317E-01
|
||
|
|
7 0.4159360000E+00 0.3193939556E+00
|
||
|
|
8 0.1711830000E+00 0.5505636776E+00
|
||
|
|
9 0.6945000000E-01 0.2414446769E+00
|
||
|
|
S 1
|
||
|
|
1 0.9396800000E+00 0.1000000000E+01
|
||
|
|
S 1
|
||
|
|
1 0.3980040000E+00 0.1000000000E+01
|
||
|
|
S 1
|
||
|
|
1 0.1685760000E+00 0.1000000000E+01
|
||
|
|
S 1
|
||
|
|
1 0.7140100000E-01 0.1000000000E+01
|
||
|
|
S 1
|
||
|
|
1 0.2632082901E-01 0.1000000000E+01
|
||
|
|
P 8
|
||
|
|
1 0.6828733300E+02 0.7894273951E-03
|
||
|
|
2 0.1619282000E+02 0.6205544664E-02
|
||
|
|
3 0.5040008000E+01 0.2715010308E-01
|
||
|
|
4 0.1824330000E+01 0.8875698660E-01
|
||
|
|
5 0.7152430000E+00 0.2241926538E+00
|
||
|
|
6 0.2920900000E+00 0.3731805301E+00
|
||
|
|
7 0.1211960000E+00 0.3759722846E+00
|
||
|
|
8 0.4965600000E-01 0.1388685923E+00
|
||
|
|
P 1
|
||
|
|
1 0.1011851000E+01 0.1000000000E+01
|
||
|
|
P 1
|
||
|
|
1 0.4152250000E+00 0.1000000000E+01
|
||
|
|
P 1
|
||
|
|
1 0.1703920000E+00 0.1000000000E+01
|
||
|
|
P 1
|
||
|
|
1 0.6992200000E-01 0.1000000000E+01
|
||
|
|
P 1
|
||
|
|
1 0.2001857290E-01 0.1000000000E+01
|
||
|
|
D 1
|
||
|
|
1 0.1424590000E+01 0.1000000000E+01
|
||
|
|
D 1
|
||
|
|
1 0.6519460000E+00 0.1000000000E+01
|
||
|
|
D 1
|
||
|
|
1 0.2983550000E+00 0.1000000000E+01
|
||
|
|
D 1
|
||
|
|
1 0.1365380000E+00 0.1000000000E+01
|
||
|
|
D 1
|
||
|
|
1 0.6248470000E-01 0.1000000000E+01
|
||
|
|
F 1
|
||
|
|
1 0.1271173000E+01 0.1000000000E+01
|
||
|
|
F 1
|
||
|
|
1 0.5944720000E+00 0.1000000000E+01
|
||
|
|
F 1
|
||
|
|
1 0.2780090000E+00 0.1000000000E+01
|
||
|
|
F 1
|
||
|
|
1 0.1300128000E+00 0.1000000000E+01
|
||
|
|
G 1
|
||
|
|
1 0.1057789000E+01 0.1000000000E+01
|
||
|
|
G 1
|
||
|
|
1 0.4512020000E+00 0.1000000000E+01
|
||
|
|
G 1
|
||
|
|
1 0.1924611000E+00 0.1000000000E+01
|
||
|
|
H 1
|
||
|
|
1 0.7893999855E+00 0.1000000000E+01
|
||
|
|
|
||
|
|
CARBON
|
||
|
|
S 12
|
||
|
|
1 0.9650000000E+05 0.1757624017E-04
|
||
|
|
2 0.2590486598E+05 0.8228309694E-04
|
||
|
|
3 0.5693938166E+04 0.5318641652E-03
|
||
|
|
4 0.1550818386E+04 0.2284844909E-02
|
||
|
|
5 0.4973235580E+03 0.8294546729E-02
|
||
|
|
6 0.1800398040E+03 0.2573225198E-01
|
||
|
|
7 0.7110769000E+02 0.6959401392E-01
|
||
|
|
8 0.2981488300E+02 0.1603858170E+00
|
||
|
|
9 0.1298937300E+02 0.2940125799E+00
|
||
|
|
10 0.5782412000E+01 0.3678689231E+00
|
||
|
|
11 0.2596076000E+01 0.2023218475E+00
|
||
|
|
12 0.1163233000E+01 0.2380336463E-01
|
||
|
|
S 9
|
||
|
|
1 0.7110769000E+02 -0.5750546785E-03
|
||
|
|
2 0.2981488300E+02 -0.2902365222E-02
|
||
|
|
3 0.1298937300E+02 -0.1406070948E-01
|
||
|
|
4 0.5782412000E+01 -0.4851421616E-01
|
||
|
|
5 0.2596076000E+01 -0.7936808134E-01
|
||
|
|
6 0.1163233000E+01 0.7709121550E-01
|
||
|
|
7 0.5155600000E+00 0.3823318947E+00
|
||
|
|
8 0.2241210000E+00 0.4918647140E+00
|
||
|
|
9 0.9470000000E-01 0.1798814761E+00
|
||
|
|
S 1
|
||
|
|
1 0.1413952000E+01 0.1000000000E+01
|
||
|
|
S 1
|
||
|
|
1 0.5855840000E+00 0.1000000000E+01
|
||
|
|
S 1
|
||
|
|
1 0.2425180000E+00 0.1000000000E+01
|
||
|
|
S 1
|
||
|
|
1 0.1004380000E+00 0.1000000000E+01
|
||
|
|
S 1
|
||
|
|
1 0.3968147122E-01 0.1000000000E+01
|
||
|
|
P 9
|
||
|
|
1 0.1777640040E+03 0.3363257978E-03
|
||
|
|
2 0.4252410700E+02 0.2827346859E-02
|
||
|
|
3 0.1345914900E+02 0.1394579069E-01
|
||
|
|
4 0.5003536000E+01 0.4750978748E-01
|
||
|
|
5 0.2029528000E+01 0.1322166269E+00
|
||
|
|
6 0.8612010000E+00 0.2680463029E+00
|
||
|
|
7 0.3732030000E+00 0.3678763858E+00
|
||
|
|
8 0.1619280000E+00 0.3123388478E+00
|
||
|
|
9 0.6832100000E-01 0.9825428605E-01
|
||
|
|
P 1
|
||
|
|
1 0.1605554000E+01 0.1000000000E+01
|
||
|
|
P 1
|
||
|
|
1 0.6373720000E+00 0.1000000000E+01
|
||
|
|
P 1
|
||
|
|
1 0.2530230000E+00 0.1000000000E+01
|
||
|
|
P 1
|
||
|
|
1 0.1004450000E+00 0.1000000000E+01
|
||
|
|
P 1
|
||
|
|
1 0.3388734287E-01 0.1000000000E+01
|
||
|
|
D 1
|
||
|
|
1 0.2423425000E+01 0.1000000000E+01
|
||
|
|
D 1
|
||
|
|
1 0.1057475000E+01 0.1000000000E+01
|
||
|
|
D 1
|
||
|
|
1 0.4614350000E+00 0.1000000000E+01
|
||
|
|
D 1
|
||
|
|
1 0.2013500000E+00 0.1000000000E+01
|
||
|
|
D 1
|
||
|
|
1 0.8786030000E-01 0.1000000000E+01
|
||
|
|
F 1
|
||
|
|
1 0.1993884000E+01 0.1000000000E+01
|
||
|
|
F 1
|
||
|
|
1 0.8999420000E+00 0.1000000000E+01
|
||
|
|
F 1
|
||
|
|
1 0.4061900000E+00 0.1000000000E+01
|
||
|
|
F 1
|
||
|
|
1 0.1833340000E+00 0.1000000000E+01
|
||
|
|
G 1
|
||
|
|
1 0.1644141000E+01 0.1000000000E+01
|
||
|
|
G 1
|
||
|
|
1 0.6755930000E+00 0.1000000000E+01
|
||
|
|
G 1
|
||
|
|
1 0.2776070000E+00 0.1000000000E+01
|
||
|
|
H 1
|
||
|
|
1 0.1202396970E+01 0.1000000000E+01
|
||
|
|
|
||
|
|
NITROGEN
|
||
|
|
S 13
|
||
|
|
1 0.2145012177E+06 0.1254222565E-04
|
||
|
|
2 0.3579703569E+05 0.9052476015E-04
|
||
|
|
3 0.7871690820E+04 0.5177248869E-03
|
||
|
|
4 0.2144879186E+04 0.2263091634E-02
|
||
|
|
5 0.6880703560E+03 0.8179359253E-02
|
||
|
|
6 0.2491809840E+03 0.2541328332E-01
|
||
|
|
7 0.9846583500E+02 0.6888803913E-01
|
||
|
|
8 0.4132049400E+02 0.1593503149E+00
|
||
|
|
9 0.1802451800E+02 0.2942010872E+00
|
||
|
|
10 0.8036773000E+01 0.3674361645E+00
|
||
|
|
11 0.3614249000E+01 0.2034954506E+00
|
||
|
|
12 0.1621334000E+01 0.2328244152E-01
|
||
|
|
13 0.7183740000E+00 0.1699241187E-02
|
||
|
|
S 9
|
||
|
|
1 0.9846583500E+02 -0.5966425923E-03
|
||
|
|
2 0.4132049400E+02 -0.3094015366E-02
|
||
|
|
3 0.1802451800E+02 -0.1494544925E-01
|
||
|
|
4 0.8036773000E+01 -0.5090692328E-01
|
||
|
|
5 0.3614249000E+01 -0.7703780385E-01
|
||
|
|
6 0.1621334000E+01 0.8895353849E-01
|
||
|
|
7 0.7183740000E+00 0.3902583150E+00
|
||
|
|
8 0.3112910000E+00 0.4820485191E+00
|
||
|
|
9 0.1304820000E+00 0.1733130394E+00
|
||
|
|
S 1
|
||
|
|
1 0.1939064000E+01 0.1000000000E+01
|
||
|
|
S 1
|
||
|
|
1 0.7890400000E+00 0.1000000000E+01
|
||
|
|
S 1
|
||
|
|
1 0.3210750000E+00 0.1000000000E+01
|
||
|
|
S 1
|
||
|
|
1 0.1306510000E+00 0.1000000000E+01
|
||
|
|
S 1
|
||
|
|
1 0.4873074430E-01 0.1000000000E+01
|
||
|
|
P 10
|
||
|
|
1 0.4125283380E+03 0.1470290950E-03
|
||
|
|
2 0.9929694700E+02 0.1275023030E-02
|
||
|
|
3 0.3161597900E+02 0.6863867770E-02
|
||
|
|
4 0.1191708800E+02 0.2517693580E-01
|
||
|
|
5 0.4945601000E+01 0.7396159700E-01
|
||
|
|
6 0.2162445000E+01 0.1739126040E+00
|
||
|
|
7 0.9712900000E+00 0.2936883880E+00
|
||
|
|
8 0.4408090000E+00 0.3471526580E+00
|
||
|
|
9 0.1986100000E+00 0.2566238500E+00
|
||
|
|
10 0.8633600000E-01 0.7025931870E-01
|
||
|
|
P 1
|
||
|
|
1 0.2031436000E+01 0.1000000000E+01
|
||
|
|
P 1
|
||
|
|
1 0.8111200000E+00 0.1000000000E+01
|
||
|
|
P 1
|
||
|
|
1 0.3238670000E+00 0.1000000000E+01
|
||
|
|
P 1
|
||
|
|
1 0.1293150000E+00 0.1000000000E+01
|
||
|
|
P 1
|
||
|
|
1 0.5592600000E-01 0.1000000000E+01
|
||
|
|
P 1
|
||
|
|
1 0.2279100000E-01 0.1000000000E+01
|
||
|
|
D 1
|
||
|
|
1 0.5376451000E+01 0.1000000000E+01
|
||
|
|
D 1
|
||
|
|
1 0.2121508000E+01 0.1000000000E+01
|
||
|
|
D 1
|
||
|
|
1 0.8371310000E+00 0.1000000000E+01
|
||
|
|
D 1
|
||
|
|
1 0.3303260000E+00 0.1000000000E+01
|
||
|
|
D 1
|
||
|
|
1 0.1303443000E+00 0.1000000000E+01
|
||
|
|
F 1
|
||
|
|
1 0.2886163000E+01 0.1000000000E+01
|
||
|
|
F 1
|
||
|
|
1 0.1183938000E+01 0.1000000000E+01
|
||
|
|
F 1
|
||
|
|
1 0.4856650000E+00 0.1000000000E+01
|
||
|
|
F 1
|
||
|
|
1 0.1992253000E+00 0.1000000000E+01
|
||
|
|
G 1
|
||
|
|
1 0.2502722000E+01 0.1000000000E+01
|
||
|
|
G 1
|
||
|
|
1 0.9224360000E+00 0.1000000000E+01
|
||
|
|
G 1
|
||
|
|
1 0.3399850000E+00 0.1000000000E+01
|
||
|
|
H 1
|
||
|
|
1 0.1676564171E+01 0.1000000000E+01
|
||
|
|
|
||
|
|
OXYGEN
|
||
|
|
S 13
|
||
|
|
1 0.2855454447E+06 0.1232394703E-04
|
||
|
|
2 0.4758001234E+05 0.8909993869E-04
|
||
|
|
3 0.1045912232E+05 0.5095688836E-03
|
||
|
|
4 0.2849866727E+04 0.2227627174E-02
|
||
|
|
5 0.9141599010E+03 0.8055726745E-02
|
||
|
|
6 0.3309943250E+03 0.2506087175E-01
|
||
|
|
7 0.1307751490E+03 0.6810474382E-01
|
||
|
|
8 0.5488644600E+02 0.1582415835E+00
|
||
|
|
9 0.2395757400E+02 0.2936697591E+00
|
||
|
|
10 0.1069510500E+02 0.3676849464E+00
|
||
|
|
11 0.4817178000E+01 0.2046539227E+00
|
||
|
|
12 0.2163672000E+01 0.2423893277E-01
|
||
|
|
13 0.9584770000E+00 0.1787156220E-02
|
||
|
|
S 9
|
||
|
|
1 0.1307751490E+03 -0.6155812759E-03
|
||
|
|
2 0.5488644600E+02 -0.3226082495E-02
|
||
|
|
3 0.2395757400E+02 -0.1567898664E-01
|
||
|
|
4 0.1069510500E+02 -0.5268182999E-01
|
||
|
|
5 0.4817178000E+01 -0.7601761394E-01
|
||
|
|
6 0.2163672000E+01 0.9789256331E-01
|
||
|
|
7 0.9584770000E+00 0.3997720534E+00
|
||
|
|
8 0.4138940000E+00 0.4745293698E+00
|
||
|
|
9 0.1718760000E+00 0.1650578034E+00
|
||
|
|
S 1
|
||
|
|
1 0.2782638000E+01 0.1000000000E+01
|
||
|
|
S 1
|
||
|
|
1 0.1136898000E+01 0.1000000000E+01
|
||
|
|
S 1
|
||
|
|
1 0.4645010000E+00 0.1000000000E+01
|
||
|
|
S 1
|
||
|
|
1 0.1897800000E+00 0.1000000000E+01
|
||
|
|
S 1
|
||
|
|
1 0.6990330726E-01 0.1000000000E+01
|
||
|
|
P 10
|
||
|
|
1 0.5208755060E+03 0.1652946190E-03
|
||
|
|
2 0.1252922050E+03 0.1436820080E-02
|
||
|
|
3 0.3988108800E+02 0.7746714928E-02
|
||
|
|
4 0.1506305300E+02 0.2851339639E-01
|
||
|
|
5 0.6270530000E+01 0.8326878058E-01
|
||
|
|
6 0.2744670000E+01 0.1878033940E+00
|
||
|
|
7 0.1227278000E+01 0.2986524639E+00
|
||
|
|
8 0.5500130000E+00 0.3372505969E+00
|
||
|
|
9 0.2426870000E+00 0.2478459319E+00
|
||
|
|
10 0.1028240000E+00 0.7068092538E-01
|
||
|
|
P 1
|
||
|
|
1 0.2525615000E+01 0.1000000000E+01
|
||
|
|
P 1
|
||
|
|
1 0.9702130000E+00 0.1000000000E+01
|
||
|
|
P 1
|
||
|
|
1 0.3727070000E+00 0.1000000000E+01
|
||
|
|
P 1
|
||
|
|
1 0.1431750000E+00 0.1000000000E+01
|
||
|
|
P 1
|
||
|
|
1 0.5018616452E-01 0.1000000000E+01
|
||
|
|
D 1
|
||
|
|
1 0.6372829000E+01 0.1000000000E+01
|
||
|
|
D 1
|
||
|
|
1 0.2533966000E+01 0.1000000000E+01
|
||
|
|
D 1
|
||
|
|
1 0.1007556000E+01 0.1000000000E+01
|
||
|
|
D 1
|
||
|
|
1 0.4006250000E+00 0.1000000000E+01
|
||
|
|
D 1
|
||
|
|
1 0.1592967000E+00 0.1000000000E+01
|
||
|
|
F 1
|
||
|
|
1 0.3900466000E+01 0.1000000000E+01
|
||
|
|
F 1
|
||
|
|
1 0.1573726000E+01 0.1000000000E+01
|
||
|
|
F 1
|
||
|
|
1 0.6349540000E+00 0.1000000000E+01
|
||
|
|
F 1
|
||
|
|
1 0.2561860000E+00 0.1000000000E+01
|
||
|
|
G 1
|
||
|
|
1 0.3295764000E+01 0.1000000000E+01
|
||
|
|
G 1
|
||
|
|
1 0.1225189000E+01 0.1000000000E+01
|
||
|
|
G 1
|
||
|
|
1 0.4554598000E+00 0.1000000000E+01
|
||
|
|
H 1
|
||
|
|
1 0.2267363930E+01 0.1000000000E+01
|
||
|
|
|
||
|
|
FLUORINE
|
||
|
|
S 13
|
||
|
|
1 0.3646704009E+06 0.1224601362E-04
|
||
|
|
2 0.6067419383E+05 0.8866927385E-04
|
||
|
|
3 0.1333654649E+05 0.5068427272E-03
|
||
|
|
4 0.3635452855E+04 0.2214220887E-02
|
||
|
|
5 0.1166666618E+04 0.8005051999E-02
|
||
|
|
6 0.4225403220E+03 0.2491135814E-01
|
||
|
|
7 0.1669746510E+03 0.6779417214E-01
|
||
|
|
8 0.7009625900E+02 0.1579496420E+00
|
||
|
|
9 0.3061119000E+02 0.2939635324E+00
|
||
|
|
10 0.1367632100E+02 0.3677189130E+00
|
||
|
|
11 0.6166138000E+01 0.2043463385E+00
|
||
|
|
12 0.2771770000E+01 0.2461984635E-01
|
||
|
|
13 0.1227567000E+01 0.1882036329E-02
|
||
|
|
S 9
|
||
|
|
1 0.1669746510E+03 -0.6336348180E-03
|
||
|
|
2 0.7009625900E+02 -0.3346029509E-02
|
||
|
|
3 0.3061119000E+02 -0.1632002165E-01
|
||
|
|
4 0.1367632100E+02 -0.5414255291E-01
|
||
|
|
5 0.6166138000E+01 -0.7464730391E-01
|
||
|
|
6 0.2771770000E+01 0.1055270775E+00
|
||
|
|
7 0.1227567000E+01 0.4060118072E+00
|
||
|
|
8 0.5287200000E+00 0.4684078906E+00
|
||
|
|
9 0.2180500000E+00 0.1592052208E+00
|
||
|
|
S 1
|
||
|
|
1 0.3971058000E+01 0.1000000000E+01
|
||
|
|
S 1
|
||
|
|
1 0.1602317000E+01 0.1000000000E+01
|
||
|
|
S 1
|
||
|
|
1 0.6465330000E+00 0.1000000000E+01
|
||
|
|
S 1
|
||
|
|
1 0.2608750000E+00 0.1000000000E+01
|
||
|
|
S 1
|
||
|
|
1 0.9576789520E-01 0.1000000000E+01
|
||
|
|
P 11
|
||
|
|
1 0.1053423895E+04 0.7616661050E-04
|
||
|
|
2 0.2550839630E+03 0.6707075360E-03
|
||
|
|
3 0.8113810400E+02 0.3829499800E-02
|
||
|
|
4 0.3075997900E+02 0.1511351630E-01
|
||
|
|
5 0.1297028600E+02 0.4665758140E-01
|
||
|
|
6 0.5804900000E+01 0.1173671020E+00
|
||
|
|
7 0.2675277000E+01 0.2218977950E+00
|
||
|
|
8 0.1244968000E+01 0.3029457700E+00
|
||
|
|
9 0.5764470000E+00 0.3063322090E+00
|
||
|
|
10 0.2614280000E+00 0.2039422000E+00
|
||
|
|
11 0.1135450000E+00 0.5234024850E-01
|
||
|
|
P 1
|
||
|
|
1 0.3310404000E+01 0.1000000000E+01
|
||
|
|
P 1
|
||
|
|
1 0.1256062000E+01 0.1000000000E+01
|
||
|
|
P 1
|
||
|
|
1 0.4765860000E+00 0.1000000000E+01
|
||
|
|
P 1
|
||
|
|
1 0.1808300000E+00 0.1000000000E+01
|
||
|
|
P 1
|
||
|
|
1 0.6405054100E-01 0.1000000000E+01
|
||
|
|
D 1
|
||
|
|
1 0.7798116000E+01 0.1000000000E+01
|
||
|
|
D 1
|
||
|
|
1 0.3105955000E+01 0.1000000000E+01
|
||
|
|
D 1
|
||
|
|
1 0.1237088000E+01 0.1000000000E+01
|
||
|
|
D 1
|
||
|
|
1 0.4927270000E+00 0.1000000000E+01
|
||
|
|
D 1
|
||
|
|
1 0.1962510000E+00 0.1000000000E+01
|
||
|
|
F 1
|
||
|
|
1 0.5354588000E+01 0.1000000000E+01
|
||
|
|
F 1
|
||
|
|
1 0.2125031000E+01 0.1000000000E+01
|
||
|
|
F 1
|
||
|
|
1 0.8433430000E+00 0.1000000000E+01
|
||
|
|
F 1
|
||
|
|
1 0.3346900000E+00 0.1000000000E+01
|
||
|
|
G 1
|
||
|
|
1 0.4288638000E+01 0.1000000000E+01
|
||
|
|
G 1
|
||
|
|
1 0.1550119000E+01 0.1000000000E+01
|
||
|
|
G 1
|
||
|
|
1 0.5602871000E+00 0.1000000000E+01
|
||
|
|
H 1
|
||
|
|
1 0.2964063753E+01 0.1000000000E+01
|
||
|
|
|
||
|
|
NEON
|
||
|
|
S 13
|
||
|
|
1 0.3203050000E+06 0.1538139536E-04
|
||
|
|
2 0.7554372846E+05 0.8173725851E-04
|
||
|
|
3 0.1660165302E+05 0.5087570756E-03
|
||
|
|
4 0.4524784554E+04 0.2193519830E-02
|
||
|
|
5 0.1451651741E+04 0.7965021805E-02
|
||
|
|
6 0.5255390890E+03 0.2478218919E-01
|
||
|
|
7 0.2075865840E+03 0.6759737264E-01
|
||
|
|
8 0.8711844700E+02 0.1578611434E+00
|
||
|
|
9 0.3804271500E+02 0.2945077170E+00
|
||
|
|
10 0.1700059600E+02 0.3678091693E+00
|
||
|
|
11 0.7668198000E+01 0.2037219636E+00
|
||
|
|
12 0.3447995000E+01 0.2476974154E-01
|
||
|
|
13 0.1526412000E+01 0.1975499741E-02
|
||
|
|
S 9
|
||
|
|
1 0.2075865840E+03 -0.6472683914E-03
|
||
|
|
2 0.8711844700E+02 -0.3444179878E-02
|
||
|
|
3 0.3804271500E+02 -0.1684900152E-01
|
||
|
|
4 0.1700059600E+02 -0.5530930181E-01
|
||
|
|
5 0.7668198000E+01 -0.7326412109E-01
|
||
|
|
6 0.3447995000E+01 0.1118728715E+00
|
||
|
|
7 0.1526412000E+01 0.4102955824E+00
|
||
|
|
8 0.6560750000E+00 0.4633686608E+00
|
||
|
|
9 0.2692120000E+00 0.1549859686E+00
|
||
|
|
S 1
|
||
|
|
1 0.5663604000E+01 0.1000000000E+01
|
||
|
|
S 1
|
||
|
|
1 0.2354031000E+01 0.1000000000E+01
|
||
|
|
S 1
|
||
|
|
1 0.9784340000E+00 0.1000000000E+01
|
||
|
|
S 1
|
||
|
|
1 0.4066780000E+00 0.1000000000E+01
|
||
|
|
S 1
|
||
|
|
1 0.1104677100E+00 0.1000000000E+01
|
||
|
|
P 12
|
||
|
|
1 0.2065537160E+04 0.3511416142E-04
|
||
|
|
2 0.5025211230E+03 0.3116357070E-03
|
||
|
|
3 0.1594703590E+03 0.1849485790E-02
|
||
|
|
4 0.6043998800E+02 0.7762648123E-02
|
||
|
|
5 0.2564842700E+02 0.2533603190E-01
|
||
|
|
6 0.1164715300E+02 0.6866002003E-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 0.3874148493E-01
|
||
|
|
P 1
|
||
|
|
1 0.4508311000E+01 0.1000000000E+01
|
||
|
|
P 1
|
||
|
|
1 0.1744696000E+01 0.1000000000E+01
|
||
|
|
P 1
|
||
|
|
1 0.6751900000E+00 0.1000000000E+01
|
||
|
|
P 1
|
||
|
|
1 0.2612950000E+00 0.1000000000E+01
|
||
|
|
P 1
|
||
|
|
1 0.5604946800E-01 0.1000000000E+01
|
||
|
|
D 1
|
||
|
|
1 0.9648793000E+01 0.1000000000E+01
|
||
|
|
D 1
|
||
|
|
1 0.3830774000E+01 0.1000000000E+01
|
||
|
|
D 1
|
||
|
|
1 0.1520898000E+01 0.1000000000E+01
|
||
|
|
D 1
|
||
|
|
1 0.6038280000E+00 0.1000000000E+01
|
||
|
|
D 1
|
||
|
|
1 0.2397320000E+00 0.1000000000E+01
|
||
|
|
F 1
|
||
|
|
1 0.7021798000E+01 0.1000000000E+01
|
||
|
|
F 1
|
||
|
|
1 0.2765240000E+01 0.1000000000E+01
|
||
|
|
F 1
|
||
|
|
1 0.1088973000E+01 0.1000000000E+01
|
||
|
|
F 1
|
||
|
|
1 0.4288460000E+00 0.1000000000E+01
|
||
|
|
G 1
|
||
|
|
1 0.5390488000E+01 0.1000000000E+01
|
||
|
|
G 1
|
||
|
|
1 0.1912863000E+01 0.1000000000E+01
|
||
|
|
G 1
|
||
|
|
1 0.6787965000E+00 0.1000000000E+01
|
||
|
|
H 1
|
||
|
|
1 0.3737561801E+01 0.1000000000E+01
|
||
|
|
|
||
|
|
SODIUM
|
||
|
|
S 14
|
||
|
|
1 0.6026358954E+06 0.1058966628E-04
|
||
|
|
2 0.1053970054E+06 0.7273476674E-04
|
||
|
|
3 0.2326876868E+05 0.4228222517E-03
|
||
|
|
4 0.6248779275E+04 0.1899406987E-02
|
||
|
|
5 0.1970702082E+04 0.7018585214E-02
|
||
|
|
6 0.7061788390E+03 0.2205482576E-01
|
||
|
|
7 0.2788629740E+03 0.5996917828E-01
|
||
|
|
8 0.1180126370E+03 0.1404558181E+00
|
||
|
|
9 0.5220178400E+02 0.2682592105E+00
|
||
|
|
10 0.2361628600E+02 0.3650484451E+00
|
||
|
|
11 0.1072912100E+02 0.2439811823E+00
|
||
|
|
12 0.4824146000E+01 0.4218203463E-01
|
||
|
|
13 0.2124186000E+01 0.1928350007E-02
|
||
|
|
14 0.9102090000E+00 -0.1364428631E-04
|
||
|
|
S 11
|
||
|
|
1 0.7061788390E+03 -0.7563825893E-04
|
||
|
|
2 0.2788629740E+03 -0.5376546834E-03
|
||
|
|
3 0.1180126370E+03 -0.3200264623E-02
|
||
|
|
4 0.5220178400E+02 -0.1446153275E-01
|
||
|
|
5 0.2361628600E+02 -0.4961361299E-01
|
||
|
|
6 0.1072912100E+02 -0.8189918172E-01
|
||
|
|
7 0.4824146000E+01 0.7037907703E-01
|
||
|
|
8 0.2124186000E+01 0.4041073890E+00
|
||
|
|
9 0.9102090000E+00 0.5011810804E+00
|
||
|
|
10 0.3788690000E+00 0.1557230147E+00
|
||
|
|
11 0.1536520000E+00 -0.1935084729E-02
|
||
|
|
S 7
|
||
|
|
1 0.4824146000E+01 -0.3025277585E-03
|
||
|
|
2 0.2124186000E+01 -0.7037511925E-02
|
||
|
|
3 0.9102090000E+00 -0.4025910917E-01
|
||
|
|
4 0.3788690000E+00 -0.1136652200E+00
|
||
|
|
5 0.1536520000E+00 0.1933146785E-01
|
||
|
|
6 0.6120300000E-01 0.5935913795E+00
|
||
|
|
7 0.2426600000E-01 0.4895367122E+00
|
||
|
|
S 1
|
||
|
|
1 0.1265692000E+01 0.1000000000E+01
|
||
|
|
S 1
|
||
|
|
1 0.5316860000E+00 0.1000000000E+01
|
||
|
|
S 1
|
||
|
|
1 0.2233480000E+00 0.1000000000E+01
|
||
|
|
S 1
|
||
|
|
1 0.9382300000E-01 0.1000000000E+01
|
||
|
|
S 1
|
||
|
|
1 0.6990524121E-02 0.1000000000E+01
|
||
|
|
P 12
|
||
|
|
1 0.1124680894E+04 0.1512229002E-03
|
||
|
|
2 0.2809127850E+03 0.1290971966E-02
|
||
|
|
3 0.8819047200E+02 0.7505125790E-02
|
||
|
|
4 0.3279968100E+02 0.2939630490E-01
|
||
|
|
5 0.1368409900E+02 0.8618534187E-01
|
||
|
|
6 0.6100453000E+01 0.1896685012E+00
|
||
|
|
7 0.2788668000E+01 0.2991903259E+00
|
||
|
|
8 0.1265282000E+01 0.3438596307E+00
|
||
|
|
9 0.5571440000E+00 0.2401392748E+00
|
||
|
|
10 0.2354640000E+00 0.5514839537E-01
|
||
|
|
11 0.9567400000E-01 0.5922265770E-03
|
||
|
|
12 0.3797000000E-01 0.5699960160E-03
|
||
|
|
P 8
|
||
|
|
1 0.6100453000E+01 -0.4066023617E-03
|
||
|
|
2 0.2788668000E+01 -0.6456588570E-03
|
||
|
|
3 0.1265282000E+01 -0.1711501387E-02
|
||
|
|
4 0.5571440000E+00 -0.7950558081E-02
|
||
|
|
5 0.2354640000E+00 0.6843989676E-02
|
||
|
|
6 0.9567400000E-01 0.1754298436E+00
|
||
|
|
7 0.3797000000E-01 0.5441462078E+00
|
||
|
|
8 0.1518600000E-01 0.3832297487E+00
|
||
|
|
P 1
|
||
|
|
1 0.5581280000E+00 0.1000000000E+01
|
||
|
|
P 1
|
||
|
|
1 0.2480530000E+00 0.1000000000E+01
|
||
|
|
P 1
|
||
|
|
1 0.1102440000E+00 0.1000000000E+01
|
||
|
|
P 1
|
||
|
|
1 0.4899600000E-01 0.1000000000E+01
|
||
|
|
P 1
|
||
|
|
1 0.5963331000E-02 0.1000000000E+01
|
||
|
|
D 1
|
||
|
|
1 0.2712324300E+01 0.1000000000E+01
|
||
|
|
D 1
|
||
|
|
1 0.7103990000E+00 0.1000000000E+01
|
||
|
|
D 1
|
||
|
|
1 0.3009450000E+00 0.1000000000E+01
|
||
|
|
D 1
|
||
|
|
1 0.1274890000E+00 0.1000000000E+01
|
||
|
|
D 1
|
||
|
|
1 0.5400800000E-01 0.1000000000E+01
|
||
|
|
D 1
|
||
|
|
1 0.2287930000E-01 0.1000000000E+01
|
||
|
|
F 1
|
||
|
|
1 0.2574940000E+00 0.1000000000E+01
|
||
|
|
F 1
|
||
|
|
1 0.1463890000E+00 0.1000000000E+01
|
||
|
|
F 1
|
||
|
|
1 0.8322400000E-01 0.1000000000E+01
|
||
|
|
F 1
|
||
|
|
1 0.4731380000E-01 0.1000000000E+01
|
||
|
|
G 1
|
||
|
|
1 0.2401840000E+00 0.1000000000E+01
|
||
|
|
G 1
|
||
|
|
1 0.1412020000E+00 0.1000000000E+01
|
||
|
|
G 1
|
||
|
|
1 0.8301130000E-01 0.1000000000E+01
|
||
|
|
H 1
|
||
|
|
1 0.1980563545E+00 0.1000000000E+01
|
||
|
|
|
||
|
|
MAGNESIUM
|
||
|
|
S 14
|
||
|
|
1 0.7744772960E+06 0.9658741128E-05
|
||
|
|
2 0.1350611150E+06 0.6649314619E-04
|
||
|
|
3 0.2984633390E+05 0.3854550265E-03
|
||
|
|
4 0.8029919260E+04 0.1728059619E-02
|
||
|
|
5 0.2535034920E+04 0.6389043595E-02
|
||
|
|
6 0.9080145700E+03 0.2016527175E-01
|
||
|
|
7 0.3579560300E+03 0.5531803126E-01
|
||
|
|
8 0.1511515800E+03 0.1314516522E+00
|
||
|
|
9 0.6675813000E+02 0.2565187392E+00
|
||
|
|
10 0.3021540800E+02 0.3624236277E+00
|
||
|
|
11 0.1377812000E+02 0.2622833481E+00
|
||
|
|
12 0.6244402000E+01 0.5383773518E-01
|
||
|
|
13 0.2784512000E+01 0.2216532161E-02
|
||
|
|
14 0.1213714000E+01 0.3541684136E-03
|
||
|
|
S 11
|
||
|
|
1 0.3579560300E+03 -0.4919828966E-03
|
||
|
|
2 0.1511515800E+03 -0.2657661974E-02
|
||
|
|
3 0.6675813000E+02 -0.1326690430E-01
|
||
|
|
4 0.3021540800E+02 -0.4702326107E-01
|
||
|
|
5 0.1377812000E+02 -0.8466623904E-01
|
||
|
|
6 0.6244402000E+01 0.4842963250E-01
|
||
|
|
7 0.2784512000E+01 0.3932225726E+00
|
||
|
|
8 0.1213714000E+01 0.5198217864E+00
|
||
|
|
9 0.5155800000E+00 0.1621074971E+00
|
||
|
|
10 0.2135800000E+00 -0.4061233543E-02
|
||
|
|
11 0.8665000000E-01 0.4205677640E-02
|
||
|
|
S 7
|
||
|
|
1 0.6244402000E+01 -0.2779801294E-03
|
||
|
|
2 0.2784512000E+01 -0.8617106290E-02
|
||
|
|
3 0.1213714000E+01 -0.6692192621E-01
|
||
|
|
4 0.5155800000E+00 -0.1308587554E+00
|
||
|
|
5 0.2135800000E+00 0.1667318823E+00
|
||
|
|
6 0.8665000000E-01 0.6173972911E+00
|
||
|
|
7 0.3470500000E-01 0.3672289832E+00
|
||
|
|
S 1
|
||
|
|
1 0.8012960000E+00 0.1000000000E+01
|
||
|
|
S 1
|
||
|
|
1 0.3838830000E+00 0.1000000000E+01
|
||
|
|
S 1
|
||
|
|
1 0.1839090000E+00 0.1000000000E+01
|
||
|
|
S 1
|
||
|
|
1 0.8810700000E-01 0.1000000000E+01
|
||
|
|
S 1
|
||
|
|
1 0.1390002300E-01 0.1000000000E+01
|
||
|
|
P 12
|
||
|
|
1 0.1622337610E+04 0.1175553789E-03
|
||
|
|
2 0.4015644360E+03 0.1016028943E-02
|
||
|
|
3 0.1266736400E+03 0.5942232908E-02
|
||
|
|
4 0.4745839000E+02 0.2379563179E-01
|
||
|
|
5 0.1992457700E+02 0.7227113155E-01
|
||
|
|
6 0.8945067000E+01 0.1687111133E+00
|
||
|
|
7 0.4140202000E+01 0.2848137716E+00
|
||
|
|
8 0.1922315000E+01 0.3478390570E+00
|
||
|
|
9 0.8783170000E+00 0.2607688000E+00
|
||
|
|
10 0.3901570000E+00 0.7125874843E-01
|
||
|
|
11 0.1674720000E+00 0.2983942317E-02
|
||
|
|
12 0.6938600000E-01 0.1242972942E-02
|
||
|
|
P 7
|
||
|
|
1 0.4140202000E+01 -0.1825309856E-02
|
||
|
|
2 0.1922315000E+01 -0.2094825010E-02
|
||
|
|
3 0.8783170000E+00 -0.1210167887E-01
|
||
|
|
4 0.3901570000E+00 0.2934263353E-01
|
||
|
|
5 0.1674720000E+00 0.2675248536E+00
|
||
|
|
6 0.6938600000E-01 0.5449149334E+00
|
||
|
|
7 0.2782600000E-01 0.2807148585E+00
|
||
|
|
P 1
|
||
|
|
1 0.7592150000E+00 0.1000000000E+01
|
||
|
|
P 1
|
||
|
|
1 0.3744500000E+00 0.1000000000E+01
|
||
|
|
P 1
|
||
|
|
1 0.1846810000E+00 0.1000000000E+01
|
||
|
|
P 1
|
||
|
|
1 0.9108600000E-01 0.1000000000E+01
|
||
|
|
P 1
|
||
|
|
1 0.1115911400E-01 0.1000000000E+01
|
||
|
|
D 1
|
||
|
|
1 0.2877955200E+01 0.1000000000E+01
|
||
|
|
D 1
|
||
|
|
1 0.7196780000E+00 0.1000000000E+01
|
||
|
|
D 1
|
||
|
|
1 0.3664030000E+00 0.1000000000E+01
|
||
|
|
D 1
|
||
|
|
1 0.1865430000E+00 0.1000000000E+01
|
||
|
|
D 1
|
||
|
|
1 0.9497300000E-01 0.1000000000E+01
|
||
|
|
D 1
|
||
|
|
1 0.4835270000E-01 0.1000000000E+01
|
||
|
|
F 1
|
||
|
|
1 0.3695950000E+00 0.1000000000E+01
|
||
|
|
F 1
|
||
|
|
1 0.2471990000E+00 0.1000000000E+01
|
||
|
|
F 1
|
||
|
|
1 0.1653360000E+00 0.1000000000E+01
|
||
|
|
F 1
|
||
|
|
1 0.1105820000E+00 0.1000000000E+01
|
||
|
|
G 1
|
||
|
|
1 0.3863990000E+00 0.1000000000E+01
|
||
|
|
G 1
|
||
|
|
1 0.1926580000E+00 0.1000000000E+01
|
||
|
|
G 1
|
||
|
|
1 0.9605900000E-01 0.1000000000E+01
|
||
|
|
H 1
|
||
|
|
1 0.3106522415E+00 0.1000000000E+01
|
||
|
|
|
||
|
|
ALUMINIUM
|
||
|
|
S 14
|
||
|
|
1 0.9995154570E+06 0.8679148069E-05
|
||
|
|
2 0.1708543745E+06 0.6108475630E-04
|
||
|
|
3 0.3764463228E+05 0.3523941331E-03
|
||
|
|
4 0.1017596273E+05 0.1565651075E-02
|
||
|
|
5 0.3232711218E+04 0.5747476715E-02
|
||
|
|
6 0.1162969823E+04 0.1812854061E-01
|
||
|
|
7 0.4590271700E+03 0.5011583613E-01
|
||
|
|
8 0.1935537130E+03 0.1211020606E+00
|
||
|
|
9 0.8528023800E+02 0.2426190813E+00
|
||
|
|
10 0.3855981500E+02 0.3577561807E+00
|
||
|
|
11 0.1763524900E+02 0.2823086161E+00
|
||
|
|
12 0.8066271000E+01 0.6946474343E-01
|
||
|
|
13 0.3658108000E+01 0.2994080923E-02
|
||
|
|
14 0.1634343000E+01 0.8109325102E-03
|
||
|
|
S 11
|
||
|
|
1 0.1162969823E+04 -0.5769443974E-04
|
||
|
|
2 0.4590271700E+03 -0.4186198663E-03
|
||
|
|
3 0.1935537130E+03 -0.2583758180E-02
|
||
|
|
4 0.8528023800E+02 -0.1222709920E-01
|
||
|
|
5 0.3855981500E+02 -0.4442621664E-01
|
||
|
|
6 0.1763524900E+02 -0.8714373852E-01
|
||
|
|
7 0.8066271000E+01 0.2290042185E-01
|
||
|
|
8 0.3658108000E+01 0.3626487399E+00
|
||
|
|
9 0.1634343000E+01 0.5381528377E+00
|
||
|
|
10 0.7159880000E+00 0.1898781451E+00
|
||
|
|
11 0.3065340000E+00 0.9230024011E-04
|
||
|
|
S 7
|
||
|
|
1 0.8066271000E+01 0.1084036265E-03
|
||
|
|
2 0.3658108000E+01 -0.9736193135E-02
|
||
|
|
3 0.1634343000E+01 -0.8291372705E-01
|
||
|
|
4 0.7159880000E+00 -0.1472750269E+00
|
||
|
|
5 0.3065340000E+00 0.2331259645E+00
|
||
|
|
6 0.1279250000E+00 0.6336607302E+00
|
||
|
|
7 0.5192700000E-01 0.3089614210E+00
|
||
|
|
S 1
|
||
|
|
1 0.1444888000E+01 0.1000000000E+01
|
||
|
|
S 1
|
||
|
|
1 0.6876990000E+00 0.1000000000E+01
|
||
|
|
S 1
|
||
|
|
1 0.3273120000E+00 0.1000000000E+01
|
||
|
|
S 1
|
||
|
|
1 0.1557850000E+00 0.1000000000E+01
|
||
|
|
S 1
|
||
|
|
1 0.2151082793E-01 0.1000000000E+01
|
||
|
|
P 12
|
||
|
|
1 0.2911196039E+04 0.5894289262E-04
|
||
|
|
2 0.7307039530E+03 0.5042511130E-03
|
||
|
|
3 0.2307747510E+03 0.3065759982E-02
|
||
|
|
4 0.8621065200E+02 0.1310102307E-01
|
||
|
|
5 0.3620570900E+02 0.4272434565E-01
|
||
|
|
6 0.1640600900E+02 0.1107238421E+00
|
||
|
|
7 0.7764855000E+01 0.2183271147E+00
|
||
|
|
8 0.3743445000E+01 0.3164023125E+00
|
||
|
|
9 0.1803885000E+01 0.3246316543E+00
|
||
|
|
10 0.8568500000E+00 0.1725840581E+00
|
||
|
|
11 0.3971620000E+00 0.2616459498E-01
|
||
|
|
12 0.1782920000E+00 0.1552903214E-02
|
||
|
|
P 8
|
||
|
|
1 0.7764855000E+01 -0.1628576050E-02
|
||
|
|
2 0.3743445000E+01 -0.2056631716E-02
|
||
|
|
3 0.1803885000E+01 -0.8279306984E-02
|
||
|
|
4 0.8568500000E+00 -0.3781447224E-03
|
||
|
|
5 0.3971620000E+00 0.1154755039E+00
|
||
|
|
6 0.1782920000E+00 0.3452543657E+00
|
||
|
|
7 0.7704500000E-01 0.4707921512E+00
|
||
|
|
8 0.3185900000E-01 0.2085340655E+00
|
||
|
|
P 1
|
||
|
|
1 0.1106729000E+01 0.1000000000E+01
|
||
|
|
P 1
|
||
|
|
1 0.5390690000E+00 0.1000000000E+01
|
||
|
|
P 1
|
||
|
|
1 0.2625720000E+00 0.1000000000E+01
|
||
|
|
P 1
|
||
|
|
1 0.1278940000E+00 0.1000000000E+01
|
||
|
|
P 1
|
||
|
|
1 0.1375788872E-01 0.1000000000E+01
|
||
|
|
D 1
|
||
|
|
1 0.1994537451E+01 0.1000000000E+01
|
||
|
|
D 1
|
||
|
|
1 0.5243120000E+00 0.1000000000E+01
|
||
|
|
D 1
|
||
|
|
1 0.2797500000E+00 0.1000000000E+01
|
||
|
|
D 1
|
||
|
|
1 0.1492620000E+00 0.1000000000E+01
|
||
|
|
D 1
|
||
|
|
1 0.7964000000E-01 0.1000000000E+01
|
||
|
|
D 1
|
||
|
|
1 0.4249250000E-01 0.1000000000E+01
|
||
|
|
F 1
|
||
|
|
1 0.5641070000E+00 0.1000000000E+01
|
||
|
|
F 1
|
||
|
|
1 0.2986030000E+00 0.1000000000E+01
|
||
|
|
F 1
|
||
|
|
1 0.1580620000E+00 0.1000000000E+01
|
||
|
|
F 1
|
||
|
|
1 0.8366820000E-01 0.1000000000E+01
|
||
|
|
G 1
|
||
|
|
1 0.5272750000E+00 0.1000000000E+01
|
||
|
|
G 1
|
||
|
|
1 0.2547370000E+00 0.1000000000E+01
|
||
|
|
G 1
|
||
|
|
1 0.1230680000E+00 0.1000000000E+01
|
||
|
|
H 1
|
||
|
|
1 0.4288364052E+00 0.1000000000E+01
|
||
|
|
|
||
|
|
SILICON
|
||
|
|
S 14
|
||
|
|
1 0.1242960090E+07 0.7994545438E-05
|
||
|
|
2 0.2111287651E+06 0.5663112726E-04
|
||
|
|
3 0.4650724029E+05 0.3258862363E-03
|
||
|
|
4 0.1259670014E+05 0.1443467074E-02
|
||
|
|
5 0.4009048324E+04 0.5293618021E-02
|
||
|
|
6 0.1442976180E+04 0.1673935287E-01
|
||
|
|
7 0.5689710210E+03 0.4659719624E-01
|
||
|
|
8 0.2394437010E+03 0.1139317802E+00
|
||
|
|
9 0.1053058130E+03 0.2323851846E+00
|
||
|
|
10 0.4759587200E+02 0.3528373033E+00
|
||
|
|
11 0.2182028200E+02 0.2957626335E+00
|
||
|
|
12 0.1004385000E+02 0.8242023321E-01
|
||
|
|
13 0.4604970000E+01 0.3922802599E-02
|
||
|
|
14 0.2089470000E+01 0.1145068401E-02
|
||
|
|
S 11
|
||
|
|
1 0.1442976180E+04 -0.5143621833E-04
|
||
|
|
2 0.5689710210E+03 -0.3780800659E-03
|
||
|
|
3 0.2394437010E+03 -0.2362724957E-02
|
||
|
|
4 0.1053058130E+03 -0.1140102655E-01
|
||
|
|
5 0.4759587200E+02 -0.4229660535E-01
|
||
|
|
6 0.2182028200E+02 -0.8804430654E-01
|
||
|
|
7 0.1004385000E+02 0.5417990128E-02
|
||
|
|
8 0.4604970000E+01 0.3421651455E+00
|
||
|
|
9 0.2089470000E+01 0.5492352485E+00
|
||
|
|
10 0.9329900000E+00 0.2079744227E+00
|
||
|
|
11 0.4077050000E+00 0.2436775449E-02
|
||
|
|
S 7
|
||
|
|
1 0.1004385000E+02 0.3928295272E-03
|
||
|
|
2 0.4604970000E+01 -0.1009291853E-01
|
||
|
|
3 0.2089470000E+01 -0.9592074962E-01
|
||
|
|
4 0.9329900000E+00 -0.1515863023E+00
|
||
|
|
5 0.4077050000E+00 0.2715779181E+00
|
||
|
|
6 0.1732940000E+00 0.6307500766E+00
|
||
|
|
7 0.7111500000E-01 0.2859818451E+00
|
||
|
|
S 1
|
||
|
|
1 0.2224188000E+01 0.1000000000E+01
|
||
|
|
S 1
|
||
|
|
1 0.1005878000E+01 0.1000000000E+01
|
||
|
|
S 1
|
||
|
|
1 0.4549030000E+00 0.1000000000E+01
|
||
|
|
S 1
|
||
|
|
1 0.2057280000E+00 0.1000000000E+01
|
||
|
|
S 1
|
||
|
|
1 0.3145777156E-01 0.1000000000E+01
|
||
|
|
P 12
|
||
|
|
1 0.3580272529E+04 0.5618772402E-04
|
||
|
|
2 0.8929146940E+03 0.4850036549E-03
|
||
|
|
3 0.2822241260E+03 0.2942857660E-02
|
||
|
|
4 0.1057416930E+03 0.1262343449E-01
|
||
|
|
5 0.4452294200E+02 0.4153041338E-01
|
||
|
|
6 0.2020759100E+02 0.1091642434E+00
|
||
|
|
7 0.9578253000E+01 0.2187424408E+00
|
||
|
|
8 0.4631673000E+01 0.3214564457E+00
|
||
|
|
9 0.2246719000E+01 0.3264303459E+00
|
||
|
|
10 0.1080164000E+01 0.1642519114E+00
|
||
|
|
11 0.5101210000E+00 0.2308588839E-01
|
||
|
|
12 0.2348570000E+00 0.1516856583E-02
|
||
|
|
P 8
|
||
|
|
1 0.9578253000E+01 -0.2247191821E-02
|
||
|
|
2 0.4631673000E+01 -0.3021016879E-02
|
||
|
|
3 0.2246719000E+01 -0.1110752690E-01
|
||
|
|
4 0.1080164000E+01 0.9732873912E-02
|
||
|
|
5 0.5101210000E+00 0.1600017268E+00
|
||
|
|
6 0.2348570000E+00 0.3871003263E+00
|
||
|
|
7 0.1045750000E+00 0.4283169846E+00
|
||
|
|
8 0.4458400000E-01 0.1550656605E+00
|
||
|
|
P 1
|
||
|
|
1 0.1425817000E+01 0.1000000000E+01
|
||
|
|
P 1
|
||
|
|
1 0.7089380000E+00 0.1000000000E+01
|
||
|
|
P 1
|
||
|
|
1 0.3524950000E+00 0.1000000000E+01
|
||
|
|
P 1
|
||
|
|
1 0.1752660000E+00 0.1000000000E+01
|
||
|
|
P 1
|
||
|
|
1 0.2434445421E-01 0.1000000000E+01
|
||
|
|
D 1
|
||
|
|
1 0.5006021774E+01 0.1000000000E+01
|
||
|
|
D 1
|
||
|
|
1 0.1444411000E+01 0.1000000000E+01
|
||
|
|
D 1
|
||
|
|
1 0.6367220000E+00 0.1000000000E+01
|
||
|
|
D 1
|
||
|
|
1 0.2806790000E+00 0.1000000000E+01
|
||
|
|
D 1
|
||
|
|
1 0.1237280000E+00 0.1000000000E+01
|
||
|
|
D 1
|
||
|
|
1 0.5454130000E-01 0.1000000000E+01
|
||
|
|
F 1
|
||
|
|
1 0.6814450000E+00 0.1000000000E+01
|
||
|
|
F 1
|
||
|
|
1 0.3550550000E+00 0.1000000000E+01
|
||
|
|
F 1
|
||
|
|
1 0.1849960000E+00 0.1000000000E+01
|
||
|
|
F 1
|
||
|
|
1 0.9638930000E-01 0.1000000000E+01
|
||
|
|
G 1
|
||
|
|
1 0.6979880000E+00 0.1000000000E+01
|
||
|
|
G 1
|
||
|
|
1 0.3318310000E+00 0.1000000000E+01
|
||
|
|
G 1
|
||
|
|
1 0.1577560000E+00 0.1000000000E+01
|
||
|
|
H 1
|
||
|
|
1 0.5736191974E+00 0.1000000000E+01
|
||
|
|
|
||
|
|
PHOSPHORUS
|
||
|
|
S 14
|
||
|
|
1 0.1490713457E+07 0.7595125549E-05
|
||
|
|
2 0.2523241161E+06 0.5398175414E-04
|
||
|
|
3 0.5559611708E+05 0.3100080506E-03
|
||
|
|
4 0.1508252793E+05 0.1369881349E-02
|
||
|
|
5 0.4807139004E+04 0.5018819513E-02
|
||
|
|
6 0.1731264942E+04 0.1588898114E-01
|
||
|
|
7 0.6824254990E+03 0.4440453132E-01
|
||
|
|
8 0.2869511660E+03 0.1093205774E+00
|
||
|
|
9 0.1261217910E+03 0.2254532770E+00
|
||
|
|
10 0.5703201500E+02 0.3486293886E+00
|
||
|
|
11 0.2621114900E+02 0.3039771559E+00
|
||
|
|
12 0.1212791800E+02 0.9203762797E-01
|
||
|
|
13 0.5607144000E+01 0.4840098759E-02
|
||
|
|
14 0.2573533000E+01 0.1361733889E-02
|
||
|
|
S 11
|
||
|
|
1 0.1731264942E+04 -0.4831636607E-04
|
||
|
|
2 0.6824254990E+03 -0.3551500857E-03
|
||
|
|
3 0.2869511660E+03 -0.2244006216E-02
|
||
|
|
4 0.1261217910E+03 -0.1093233812E-01
|
||
|
|
5 0.5703201500E+02 -0.4111069875E-01
|
||
|
|
6 0.2621114900E+02 -0.8853956275E-01
|
||
|
|
7 0.1212791800E+02 -0.6052778218E-02
|
||
|
|
8 0.5607144000E+01 0.3293523770E+00
|
||
|
|
9 0.2573533000E+01 0.5565223566E+00
|
||
|
|
10 0.1165223000E+01 0.2183592479E+00
|
||
|
|
11 0.5168280000E+00 0.4560894583E-02
|
||
|
|
S 7
|
||
|
|
1 0.1212791800E+02 0.6427051443E-03
|
||
|
|
2 0.5607144000E+01 -0.1049619910E-01
|
||
|
|
3 0.2573533000E+01 -0.1073256293E+00
|
||
|
|
4 0.1165223000E+01 -0.1504173420E+00
|
||
|
|
5 0.5168280000E+00 0.2982045767E+00
|
||
|
|
6 0.2226600000E+00 0.6252209381E+00
|
||
|
|
7 0.9216400000E-01 0.2721459262E+00
|
||
|
|
S 1
|
||
|
|
1 0.3051428000E+01 0.1000000000E+01
|
||
|
|
S 1
|
||
|
|
1 0.1341556000E+01 0.1000000000E+01
|
||
|
|
S 1
|
||
|
|
1 0.5898140000E+00 0.1000000000E+01
|
||
|
|
S 1
|
||
|
|
1 0.2593110000E+00 0.1000000000E+01
|
||
|
|
S 1
|
||
|
|
1 0.3853663158E-01 0.1000000000E+01
|
||
|
|
P 12
|
||
|
|
1 0.4330098568E+04 0.5360439644E-04
|
||
|
|
2 0.1076442979E+04 0.4648987196E-03
|
||
|
|
3 0.3404875880E+03 0.2818996165E-02
|
||
|
|
4 0.1278328400E+03 0.1214170980E-01
|
||
|
|
5 0.5393604700E+02 0.4024827064E-01
|
||
|
|
6 0.2452644400E+02 0.1070114781E+00
|
||
|
|
7 0.1165195100E+02 0.2175194555E+00
|
||
|
|
8 0.5655039000E+01 0.3243027744E+00
|
||
|
|
9 0.2759892000E+01 0.3284498084E+00
|
||
|
|
10 0.1339384000E+01 0.1601868783E+00
|
||
|
|
11 0.6407810000E+00 0.2181532820E-01
|
||
|
|
12 0.2997410000E+00 0.1488433511E-02
|
||
|
|
P 8
|
||
|
|
1 0.1165195100E+02 -0.2742658539E-02
|
||
|
|
2 0.5655039000E+01 -0.3949555797E-02
|
||
|
|
3 0.2759892000E+01 -0.1302177197E-01
|
||
|
|
4 0.1339384000E+01 0.1923547426E-01
|
||
|
|
5 0.6407810000E+00 0.1908502824E+00
|
||
|
|
6 0.2997410000E+00 0.4050753130E+00
|
||
|
|
7 0.1357600000E+00 0.3972689638E+00
|
||
|
|
8 0.5874400000E-01 0.1283796560E+00
|
||
|
|
P 1
|
||
|
|
1 0.1860787000E+01 0.1000000000E+01
|
||
|
|
P 1
|
||
|
|
1 0.9252310000E+00 0.1000000000E+01
|
||
|
|
P 1
|
||
|
|
1 0.4600480000E+00 0.1000000000E+01
|
||
|
|
P 1
|
||
|
|
1 0.2287480000E+00 0.1000000000E+01
|
||
|
|
P 1
|
||
|
|
1 0.3247190110E-01 0.1000000000E+01
|
||
|
|
D 1
|
||
|
|
1 0.6313332873E+01 0.1000000000E+01
|
||
|
|
D 1
|
||
|
|
1 0.1905454000E+01 0.1000000000E+01
|
||
|
|
D 1
|
||
|
|
1 0.8357490000E+00 0.1000000000E+01
|
||
|
|
D 1
|
||
|
|
1 0.3665670000E+00 0.1000000000E+01
|
||
|
|
D 1
|
||
|
|
1 0.1607800000E+00 0.1000000000E+01
|
||
|
|
D 1
|
||
|
|
1 0.7051970000E-01 0.1000000000E+01
|
||
|
|
F 1
|
||
|
|
1 0.8580260000E+00 0.1000000000E+01
|
||
|
|
F 1
|
||
|
|
1 0.4454150000E+00 0.1000000000E+01
|
||
|
|
F 1
|
||
|
|
1 0.2312220000E+00 0.1000000000E+01
|
||
|
|
F 1
|
||
|
|
1 0.1200310000E+00 0.1000000000E+01
|
||
|
|
G 1
|
||
|
|
1 0.8944380000E+00 0.1000000000E+01
|
||
|
|
G 1
|
||
|
|
1 0.4216570000E+00 0.1000000000E+01
|
||
|
|
G 1
|
||
|
|
1 0.1987780000E+00 0.1000000000E+01
|
||
|
|
H 1
|
||
|
|
1 0.7395825319E+00 0.1000000000E+01
|
||
|
|
|
||
|
|
SULFUR
|
||
|
|
S 14
|
||
|
|
1 0.1767451410E+07 0.7240425726E-05
|
||
|
|
2 0.2977979677E+06 0.5171679830E-04
|
||
|
|
3 0.6556874449E+05 0.2967496273E-03
|
||
|
|
4 0.1780076538E+05 0.1309645991E-02
|
||
|
|
5 0.5677246766E+04 0.4797778640E-02
|
||
|
|
6 0.2044403549E+04 0.1521730048E-01
|
||
|
|
7 0.8050754420E+03 0.4270635843E-01
|
||
|
|
8 0.3380296950E+03 0.1058187270E+00
|
||
|
|
9 0.1483821190E+03 0.2202768888E+00
|
||
|
|
10 0.6707902700E+02 0.3453958345E+00
|
||
|
|
11 0.3087502800E+02 0.3098386431E+00
|
||
|
|
12 0.1434182100E+02 0.9954713197E-01
|
||
|
|
13 0.6674510000E+01 0.5699145910E-02
|
||
|
|
14 0.3091238000E+01 0.1504444963E-02
|
||
|
|
S 11
|
||
|
|
1 0.2044403549E+04 -0.4604068227E-04
|
||
|
|
2 0.8050754420E+03 -0.3376151365E-03
|
||
|
|
3 0.3380296950E+03 -0.2160625408E-02
|
||
|
|
4 0.1483821190E+03 -0.1060847185E-01
|
||
|
|
5 0.6707902700E+02 -0.4037684601E-01
|
||
|
|
6 0.3087502800E+02 -0.8898019434E-01
|
||
|
|
7 0.1434182100E+02 -0.1431543641E-01
|
||
|
|
8 0.6674510000E+01 0.3210007810E+00
|
||
|
|
9 0.3091238000E+01 0.5618219676E+00
|
||
|
|
10 0.1414550000E+01 0.2247027288E+00
|
||
|
|
11 0.6340210000E+00 0.6215637551E-02
|
||
|
|
S 7
|
||
|
|
1 0.1434182100E+02 0.9151554167E-03
|
||
|
|
2 0.6674510000E+01 -0.1118979724E-01
|
||
|
|
3 0.3091238000E+01 -0.1177961448E+00
|
||
|
|
4 0.1414550000E+01 -0.1482152086E+00
|
||
|
|
5 0.6340210000E+00 0.3257281703E+00
|
||
|
|
6 0.2752480000E+00 0.6218366227E+00
|
||
|
|
7 0.1140470000E+00 0.2542887098E+00
|
||
|
|
S 1
|
||
|
|
1 0.3876450000E+01 0.1000000000E+01
|
||
|
|
S 1
|
||
|
|
1 0.1733562000E+01 0.1000000000E+01
|
||
|
|
S 1
|
||
|
|
1 0.7752550000E+00 0.1000000000E+01
|
||
|
|
S 1
|
||
|
|
1 0.3466970000E+00 0.1000000000E+01
|
||
|
|
S 1
|
||
|
|
1 0.5044741104E-01 0.1000000000E+01
|
||
|
|
P 12
|
||
|
|
1 0.4974408218E+04 0.5443636482E-04
|
||
|
|
2 0.1240658036E+04 0.4707474699E-03
|
||
|
|
3 0.3922265940E+03 0.2865666089E-02
|
||
|
|
4 0.1470541430E+03 0.1241522307E-01
|
||
|
|
5 0.6201427900E+02 0.4129390802E-01
|
||
|
|
6 0.2823148400E+02 0.1097662415E+00
|
||
|
|
7 0.1344892800E+02 0.2222793968E+00
|
||
|
|
8 0.6551872000E+01 0.3304691256E+00
|
||
|
|
9 0.3209985000E+01 0.3261279948E+00
|
||
|
|
10 0.1562272000E+01 0.1473156830E+00
|
||
|
|
11 0.7479980000E+00 0.1758107575E-01
|
||
|
|
12 0.3491580000E+00 0.1283330752E-02
|
||
|
|
P 8
|
||
|
|
1 0.1344892800E+02 -0.3286506956E-02
|
||
|
|
2 0.6551872000E+01 -0.4944756999E-02
|
||
|
|
3 0.3209985000E+01 -0.1486558047E-01
|
||
|
|
4 0.1562272000E+01 0.3820396711E-01
|
||
|
|
5 0.7479980000E+00 0.2310499386E+00
|
||
|
|
6 0.3491580000E+00 0.4073401077E+00
|
||
|
|
7 0.1572960000E+00 0.3627965584E+00
|
||
|
|
8 0.6749800000E-01 0.1137703037E+00
|
||
|
|
P 1
|
||
|
|
1 0.2248572000E+01 0.1000000000E+01
|
||
|
|
P 1
|
||
|
|
1 0.1051162000E+01 0.1000000000E+01
|
||
|
|
P 1
|
||
|
|
1 0.4913970000E+00 0.1000000000E+01
|
||
|
|
P 1
|
||
|
|
1 0.2297180000E+00 0.1000000000E+01
|
||
|
|
P 1
|
||
|
|
1 0.3866658881E-01 0.1000000000E+01
|
||
|
|
D 1
|
||
|
|
1 0.8388553065E+01 0.1000000000E+01
|
||
|
|
D 1
|
||
|
|
1 0.2366037000E+01 0.1000000000E+01
|
||
|
|
D 1
|
||
|
|
1 0.1031649000E+01 0.1000000000E+01
|
||
|
|
D 1
|
||
|
|
1 0.4498240000E+00 0.1000000000E+01
|
||
|
|
D 1
|
||
|
|
1 0.1961340000E+00 0.1000000000E+01
|
||
|
|
D 1
|
||
|
|
1 0.8551910000E-01 0.1000000000E+01
|
||
|
|
F 1
|
||
|
|
1 0.1072760000E+01 0.1000000000E+01
|
||
|
|
F 1
|
||
|
|
1 0.5390750000E+00 0.1000000000E+01
|
||
|
|
F 1
|
||
|
|
1 0.2708920000E+00 0.1000000000E+01
|
||
|
|
F 1
|
||
|
|
1 0.1361260000E+00 0.1000000000E+01
|
||
|
|
G 1
|
||
|
|
1 0.1076611000E+01 0.1000000000E+01
|
||
|
|
G 1
|
||
|
|
1 0.4773540000E+00 0.1000000000E+01
|
||
|
|
G 1
|
||
|
|
1 0.2116510000E+00 0.1000000000E+01
|
||
|
|
H 1
|
||
|
|
1 0.8751706746E+00 0.1000000000E+01
|
||
|
|
|
||
|
|
CHLORINE
|
||
|
|
S 14
|
||
|
|
1 0.2042751207E+07 0.7043951518E-05
|
||
|
|
2 0.3439006742E+06 0.5032478758E-04
|
||
|
|
3 0.7579067915E+05 0.2882140866E-03
|
||
|
|
4 0.2060303251E+05 0.1269859202E-02
|
||
|
|
5 0.6576999654E+04 0.4650026674E-02
|
||
|
|
6 0.2368903933E+04 0.1476296647E-01
|
||
|
|
7 0.9324725820E+03 0.4153827776E-01
|
||
|
|
8 0.3912511410E+03 0.1033376962E+00
|
||
|
|
9 0.1716704040E+03 0.2164277627E+00
|
||
|
|
10 0.7763968300E+02 0.3425911290E+00
|
||
|
|
11 0.3580133800E+02 0.3137799442E+00
|
||
|
|
12 0.1669100600E+02 0.1054705614E+00
|
||
|
|
13 0.7811736000E+01 0.6487280398E-02
|
||
|
|
14 0.3644964000E+01 0.1609673407E-02
|
||
|
|
S 11
|
||
|
|
1 0.2368903933E+04 -0.4483989712E-04
|
||
|
|
2 0.9324725820E+03 -0.3267001341E-03
|
||
|
|
3 0.3912511410E+03 -0.2112537440E-02
|
||
|
|
4 0.1716704040E+03 -0.1040933221E-01
|
||
|
|
5 0.7763968300E+02 -0.3994691434E-01
|
||
|
|
6 0.3580133800E+02 -0.8933099902E-01
|
||
|
|
7 0.1669100600E+02 -0.2054185122E-01
|
||
|
|
8 0.7811736000E+01 0.3152342454E+00
|
||
|
|
9 0.3644964000E+01 0.5658061014E+00
|
||
|
|
10 0.1682345000E+01 0.2287548485E+00
|
||
|
|
11 0.7605300000E+00 0.7737547372E-02
|
||
|
|
S 8
|
||
|
|
1 0.3580133800E+02 0.1434528355E-02
|
||
|
|
2 0.1669100600E+02 -0.7415307657E-05
|
||
|
|
3 0.7811736000E+01 -0.1293417405E-01
|
||
|
|
4 0.3644964000E+01 -0.1332433073E+00
|
||
|
|
5 0.1682345000E+01 -0.1449133924E+00
|
||
|
|
6 0.7605300000E+00 0.3449058521E+00
|
||
|
|
7 0.3323680000E+00 0.6191711120E+00
|
||
|
|
8 0.1380000000E+00 0.2436767190E+00
|
||
|
|
S 1
|
||
|
|
1 0.4750545000E+01 0.1000000000E+01
|
||
|
|
S 1
|
||
|
|
1 0.2158954000E+01 0.1000000000E+01
|
||
|
|
S 1
|
||
|
|
1 0.9811670000E+00 0.1000000000E+01
|
||
|
|
S 1
|
||
|
|
1 0.4459060000E+00 0.1000000000E+01
|
||
|
|
S 1
|
||
|
|
1 0.6515386132E-01 0.1000000000E+01
|
||
|
|
P 12
|
||
|
|
1 0.5713625948E+04 0.5437073139E-04
|
||
|
|
2 0.1427201847E+04 0.4695673686E-03
|
||
|
|
3 0.4512575870E+03 0.2863369666E-02
|
||
|
|
4 0.1691736680E+03 0.1245273566E-01
|
||
|
|
5 0.7138027000E+02 0.4155097393E-01
|
||
|
|
6 0.3254684400E+02 0.1106620288E+00
|
||
|
|
7 0.1554778800E+02 0.2243027219E+00
|
||
|
|
8 0.7603481000E+01 0.3340612301E+00
|
||
|
|
9 0.3742161000E+01 0.3246051778E+00
|
||
|
|
10 0.1829882000E+01 0.1402189074E+00
|
||
|
|
11 0.8798260000E+00 0.1577480154E-01
|
||
|
|
12 0.4119080000E+00 0.1170463383E-02
|
||
|
|
P 9
|
||
|
|
1 0.3254684400E+02 -0.9812773522E-03
|
||
|
|
2 0.1554778800E+02 -0.3357813046E-02
|
||
|
|
3 0.7603481000E+01 -0.8385385677E-02
|
||
|
|
4 0.3742161000E+01 -0.1541254040E-01
|
||
|
|
5 0.1829882000E+01 0.5123574523E-01
|
||
|
|
6 0.8798260000E+00 0.2556017464E+00
|
||
|
|
7 0.4119080000E+00 0.4063026722E+00
|
||
|
|
8 0.1857290000E+00 0.3418670015E+00
|
||
|
|
9 0.7954000000E-01 0.1032571477E+00
|
||
|
|
P 1
|
||
|
|
1 0.2686260000E+01 0.1000000000E+01
|
||
|
|
P 1
|
||
|
|
1 0.1316538000E+01 0.1000000000E+01
|
||
|
|
P 1
|
||
|
|
1 0.6452360000E+00 0.1000000000E+01
|
||
|
|
P 1
|
||
|
|
1 0.3162310000E+00 0.1000000000E+01
|
||
|
|
P 1
|
||
|
|
1 0.5050849210E-01 0.1000000000E+01
|
||
|
|
D 1
|
||
|
|
1 0.1152463752E+02 0.1000000000E+01
|
||
|
|
D 1
|
||
|
|
1 0.2951110000E+01 0.1000000000E+01
|
||
|
|
D 1
|
||
|
|
1 0.1277070000E+01 0.1000000000E+01
|
||
|
|
D 1
|
||
|
|
1 0.5526420000E+00 0.1000000000E+01
|
||
|
|
D 1
|
||
|
|
1 0.2391520000E+00 0.1000000000E+01
|
||
|
|
D 1
|
||
|
|
1 0.1034910000E+00 0.1000000000E+01
|
||
|
|
F 1
|
||
|
|
1 0.1325007000E+01 0.1000000000E+01
|
||
|
|
F 1
|
||
|
|
1 0.6713790000E+00 0.1000000000E+01
|
||
|
|
F 1
|
||
|
|
1 0.3401860000E+00 0.1000000000E+01
|
||
|
|
F 1
|
||
|
|
1 0.1723710000E+00 0.1000000000E+01
|
||
|
|
G 1
|
||
|
|
1 0.1314635000E+01 0.1000000000E+01
|
||
|
|
G 1
|
||
|
|
1 0.5780530000E+00 0.1000000000E+01
|
||
|
|
G 1
|
||
|
|
1 0.2541730000E+00 0.1000000000E+01
|
||
|
|
H 1
|
||
|
|
1 0.1058766496E+01 0.1000000000E+01
|
||
|
|
|
||
|
|
ARGON
|
||
|
|
S 14
|
||
|
|
1 0.2336281209E+07 0.6881803261E-05
|
||
|
|
2 0.3930126480E+06 0.4918671306E-04
|
||
|
|
3 0.8666332881E+05 0.2813362159E-03
|
||
|
|
4 0.2358058133E+05 0.1238023161E-02
|
||
|
|
5 0.7533002864E+04 0.4531370443E-02
|
||
|
|
6 0.2714073200E+04 0.1439284778E-01
|
||
|
|
7 0.1068270040E+04 0.4056327463E-01
|
||
|
|
8 0.4481399430E+03 0.1011995852E+00
|
||
|
|
9 0.1966378050E+03 0.2129807752E+00
|
||
|
|
10 0.8899163800E+02 0.3399109031E+00
|
||
|
|
11 0.4110631200E+02 0.3171074054E+00
|
||
|
|
12 0.1922265400E+02 0.1108626378E+00
|
||
|
|
13 0.9037159000E+01 0.7261156970E-02
|
||
|
|
14 0.4241430000E+01 0.1705839315E-02
|
||
|
|
S 11
|
||
|
|
1 0.1068270040E+04 -0.3217514580E-03
|
||
|
|
2 0.4481399430E+03 -0.1881074214E-02
|
||
|
|
3 0.1966378050E+03 -0.1003839392E-01
|
||
|
|
4 0.8899163800E+02 -0.3903984429E-01
|
||
|
|
5 0.4110631200E+02 -0.8901767473E-01
|
||
|
|
6 0.1922265400E+02 -0.2603916746E-01
|
||
|
|
7 0.9037159000E+01 0.3104197714E+00
|
||
|
|
8 0.4241430000E+01 0.5667493115E+00
|
||
|
|
9 0.1970887000E+01 0.2330141524E+00
|
||
|
|
10 0.8970720000E+00 0.8160008319E-02
|
||
|
|
11 0.3942530000E+00 0.4357466960E-02
|
||
|
|
S 9
|
||
|
|
1 0.8899163800E+02 -0.6064437531E-04
|
||
|
|
2 0.4110631200E+02 0.1480099876E-02
|
||
|
|
3 0.1922265400E+02 0.7447677737E-04
|
||
|
|
4 0.9037159000E+01 -0.1304131357E-01
|
||
|
|
5 0.4241430000E+01 -0.1410050666E+00
|
||
|
|
6 0.1970887000E+01 -0.1393169521E+00
|
||
|
|
7 0.8970720000E+00 0.3577729666E+00
|
||
|
|
8 0.3942530000E+00 0.6150874908E+00
|
||
|
|
9 0.1641230000E+00 0.2362284372E+00
|
||
|
|
S 1
|
||
|
|
1 0.5674548000E+01 0.1000000000E+01
|
||
|
|
S 1
|
||
|
|
1 0.2676529000E+01 0.1000000000E+01
|
||
|
|
S 1
|
||
|
|
1 0.1262446000E+01 0.1000000000E+01
|
||
|
|
S 1
|
||
|
|
1 0.5954610000E+00 0.1000000000E+01
|
||
|
|
S 1
|
||
|
|
1 0.6832252200E-01 0.1000000000E+01
|
||
|
|
P 12
|
||
|
|
1 0.6550869137E+04 0.5362327202E-04
|
||
|
|
2 0.1638052982E+04 0.4629618994E-03
|
||
|
|
3 0.5177164300E+03 0.2831205039E-02
|
||
|
|
4 0.1939575470E+03 0.1237463611E-01
|
||
|
|
5 0.8182731600E+02 0.4147773296E-01
|
||
|
|
6 0.3734517300E+02 0.1108290793E+00
|
||
|
|
7 0.1787950300E+02 0.2252392079E+00
|
||
|
|
8 0.8774152000E+01 0.3364435460E+00
|
||
|
|
9 0.4337729000E+01 0.3235320432E+00
|
||
|
|
10 0.2131924000E+01 0.1358336206E+00
|
||
|
|
11 0.1030326000E+01 0.1491508226E-01
|
||
|
|
12 0.4845530000E+00 0.1089209886E-02
|
||
|
|
P 9
|
||
|
|
1 0.3734517300E+02 -0.1074808684E-02
|
||
|
|
2 0.1787950300E+02 -0.3691788395E-02
|
||
|
|
3 0.8774152000E+01 -0.9529825456E-02
|
||
|
|
4 0.4337729000E+01 -0.1572607275E-01
|
||
|
|
5 0.2131924000E+01 0.6238818364E-01
|
||
|
|
6 0.1030326000E+01 0.2708670893E+00
|
||
|
|
7 0.4845530000E+00 0.4050552845E+00
|
||
|
|
8 0.2191800000E+00 0.3266848194E+00
|
||
|
|
9 0.9396600000E-01 0.9546412001E-01
|
||
|
|
P 1
|
||
|
|
1 0.3372722000E+01 0.1000000000E+01
|
||
|
|
P 1
|
||
|
|
1 0.1729118000E+01 0.1000000000E+01
|
||
|
|
P 1
|
||
|
|
1 0.8864800000E+00 0.1000000000E+01
|
||
|
|
P 1
|
||
|
|
1 0.4544780000E+00 0.1000000000E+01
|
||
|
|
P 1
|
||
|
|
1 0.4028473900E-01 0.1000000000E+01
|
||
|
|
D 1
|
||
|
|
1 0.1183060844E+02 0.1000000000E+01
|
||
|
|
D 1
|
||
|
|
1 0.3585080000E+01 0.1000000000E+01
|
||
|
|
D 1
|
||
|
|
1 0.1543812000E+01 0.1000000000E+01
|
||
|
|
D 1
|
||
|
|
1 0.6647990000E+00 0.1000000000E+01
|
||
|
|
D 1
|
||
|
|
1 0.2862760000E+00 0.1000000000E+01
|
||
|
|
D 1
|
||
|
|
1 0.1232760000E+00 0.1000000000E+01
|
||
|
|
F 1
|
||
|
|
1 0.1600862000E+01 0.1000000000E+01
|
||
|
|
F 1
|
||
|
|
1 0.8254380000E+00 0.1000000000E+01
|
||
|
|
F 1
|
||
|
|
1 0.4256130000E+00 0.1000000000E+01
|
||
|
|
F 1
|
||
|
|
1 0.2194540000E+00 0.1000000000E+01
|
||
|
|
G 1
|
||
|
|
1 0.1584738000E+01 0.1000000000E+01
|
||
|
|
G 1
|
||
|
|
1 0.6995690000E+00 0.1000000000E+01
|
||
|
|
G 1
|
||
|
|
1 0.3088180000E+00 0.1000000000E+01
|
||
|
|
H 1
|
||
|
|
1 0.1274718290E+01 0.1000000000E+01
|
||
|
|
$END
|