mirror of
https://github.com/QuantumPackage/qp2.git
synced 2024-10-31 10:43:38 +01:00
1782 lines
59 KiB
Plaintext
1782 lines
59 KiB
Plaintext
|
!----------------------------------------------------------------------
|
||
|
|
! Basis Set Exchange
|
||
|
|
! Version 2.1.0+44.g1191679.dirty
|
||
|
|
! https://www.basissetexchange.org
|
||
|
|
!----------------------------------------------------------------------
|
||
|
|
! Basis set: aug-cc-pV6Z
|
||
|
|
! Description: aug-cc-pV6Z
|
||
|
|
! Role: orbital
|
||
|
|
! Version: 1 (Data from ccRepo/Grant Hill)
|
||
|
|
!----------------------------------------------------------------------
|
||
|
|
|
||
|
|
|
||
|
|
$DATA
|
||
|
|
|
||
|
|
HYDROGEN
|
||
|
|
S 10
|
||
|
|
1 1.776776E+03 4.400000E-05
|
||
|
|
2 2.540177E+02 3.720000E-04
|
||
|
|
3 5.469804E+01 2.094000E-03
|
||
|
|
4 1.501834E+01 8.863000E-03
|
||
|
|
5 4.915078E+00 3.054000E-02
|
||
|
|
6 1.794924E+00 9.034200E-02
|
||
|
|
7 7.107160E-01 2.132390E-01
|
||
|
|
8 3.048020E-01 3.523500E-01
|
||
|
|
9 1.380460E-01 3.396570E-01
|
||
|
|
10 6.215700E-02 1.073300E-01
|
||
|
|
S 1
|
||
|
|
1 1.794924E+00 1.000000E+00
|
||
|
|
S 1
|
||
|
|
1 7.107160E-01 1.000000E+00
|
||
|
|
S 1
|
||
|
|
1 3.048020E-01 1.000000E+00
|
||
|
|
S 1
|
||
|
|
1 1.380460E-01 1.000000E+00
|
||
|
|
S 1
|
||
|
|
1 6.215700E-02 1.000000E+00
|
||
|
|
S 1
|
||
|
|
1 0.0189 1.0000
|
||
|
|
P 1
|
||
|
|
1 8.649000E+00 1.000000E+00
|
||
|
|
P 1
|
||
|
|
1 3.430000E+00 1.000000E+00
|
||
|
|
P 1
|
||
|
|
1 1.360000E+00 1.000000E+00
|
||
|
|
P 1
|
||
|
|
1 5.390000E-01 1.000000E+00
|
||
|
|
P 1
|
||
|
|
1 2.140000E-01 1.000000E+00
|
||
|
|
P 1
|
||
|
|
1 0.0670 1.0000
|
||
|
|
D 1
|
||
|
|
1 4.453000E+00 1.000000E+00
|
||
|
|
D 1
|
||
|
|
1 1.958000E+00 1.000000E+00
|
||
|
|
D 1
|
||
|
|
1 8.610000E-01 1.000000E+00
|
||
|
|
D 1
|
||
|
|
1 3.780000E-01 1.000000E+00
|
||
|
|
D 1
|
||
|
|
1 0.1260 1.0000
|
||
|
|
F 1
|
||
|
|
1 4.100000E+00 1.000000E+00
|
||
|
|
F 1
|
||
|
|
1 1.780000E+00 1.000000E+00
|
||
|
|
F 1
|
||
|
|
1 7.730000E-01 1.000000E+00
|
||
|
|
F 1
|
||
|
|
1 0.2450 1.0000
|
||
|
|
G 1
|
||
|
|
1 3.199000E+00 1.000000E+00
|
||
|
|
G 1
|
||
|
|
1 1.326000E+00 1.000000E+00
|
||
|
|
G 1
|
||
|
|
1 0.4070 1.0000
|
||
|
|
H 1
|
||
|
|
1 2.653000E+00 1.0000000
|
||
|
|
H 1
|
||
|
|
1 0.6820 1.0000
|
||
|
|
|
||
|
|
HELIUM
|
||
|
|
S 10
|
||
|
|
1 4.785000E+03 6.000000E-07
|
||
|
|
2 7.170000E+02 4.700000E-06
|
||
|
|
3 1.632000E+02 2.440000E-05
|
||
|
|
4 4.626000E+01 1.012000E-04
|
||
|
|
5 1.510000E+01 3.486000E-04
|
||
|
|
6 5.437000E+00 9.841000E-04
|
||
|
|
7 2.088000E+00 2.163100E-03
|
||
|
|
8 8.297000E-01 3.490500E-03
|
||
|
|
9 3.366000E-01 3.466000E-03
|
||
|
|
10 1.369000E-01 1.151900E-03
|
||
|
|
S 1
|
||
|
|
1 5.437000E+00 1.000000E+00
|
||
|
|
S 1
|
||
|
|
1 2.088000E+00 1.000000E+00
|
||
|
|
S 1
|
||
|
|
1 8.297000E-01 1.000000E+00
|
||
|
|
S 1
|
||
|
|
1 3.366000E-01 1.000000E+00
|
||
|
|
S 1
|
||
|
|
1 1.369000E-01 1.000000E+00
|
||
|
|
S 1
|
||
|
|
1 0.04473 1.0000
|
||
|
|
P 1
|
||
|
|
1 1.610400E+01 1.000000E+00
|
||
|
|
P 1
|
||
|
|
1 6.342000E+00 1.000000E+00
|
||
|
|
P 1
|
||
|
|
1 2.498000E+00 1.000000E+00
|
||
|
|
P 1
|
||
|
|
1 9.840000E-01 1.000000E+00
|
||
|
|
P 1
|
||
|
|
1 3.870000E-01 1.000000E+00
|
||
|
|
P 1
|
||
|
|
1 0.1280 1.0000
|
||
|
|
D 1
|
||
|
|
1 1.249800E+01 1.000000E+00
|
||
|
|
D 1
|
||
|
|
1 4.886000E+00 1.000000E+00
|
||
|
|
D 1
|
||
|
|
1 1.910000E+00 1.000000E+00
|
||
|
|
D 1
|
||
|
|
1 7.470000E-01 1.000000E+00
|
||
|
|
D 1
|
||
|
|
1 0.2410 1.0000
|
||
|
|
F 1
|
||
|
|
1 9.276000E+00 1.000000E+00
|
||
|
|
F 1
|
||
|
|
1 3.462000E+00 1.000000E+00
|
||
|
|
F 1
|
||
|
|
1 1.292000E+00 1.000000E+00
|
||
|
|
F 1
|
||
|
|
1 0.4070 1.0000
|
||
|
|
G 1
|
||
|
|
1 6.586000E+00 1.000000E+00
|
||
|
|
G 1
|
||
|
|
1 2.236000E+00 1.000000E+00
|
||
|
|
G 1
|
||
|
|
1 0.6860 1.0000
|
||
|
|
H 1
|
||
|
|
1 4.159000E+00 1.0000000
|
||
|
|
H 1
|
||
|
|
1 1.0160 1.0000
|
||
|
|
|
||
|
|
BORON
|
||
|
|
S 16
|
||
|
|
1 2.104000E+05 5.830000E-06
|
||
|
|
2 3.150000E+04 4.532000E-05
|
||
|
|
3 7.169000E+03 2.383800E-04
|
||
|
|
4 2.030000E+03 1.005700E-03
|
||
|
|
5 6.625000E+02 3.644960E-03
|
||
|
|
6 2.392000E+02 1.173628E-02
|
||
|
|
7 9.326000E+01 3.380702E-02
|
||
|
|
8 3.864000E+01 8.556593E-02
|
||
|
|
9 1.678000E+01 1.826032E-01
|
||
|
|
10 7.541000E+00 3.058376E-01
|
||
|
|
11 3.482000E+00 3.408035E-01
|
||
|
|
12 1.618000E+00 1.753504E-01
|
||
|
|
13 6.270000E-01 1.721834E-02
|
||
|
|
14 2.934000E-01 -2.319770E-03
|
||
|
|
15 1.310000E-01 1.017480E-03
|
||
|
|
16 5.815000E-02 -1.848300E-04
|
||
|
|
S 16
|
||
|
|
1 2.104000E+05 -1.180000E-06
|
||
|
|
2 3.150000E+04 -9.150000E-06
|
||
|
|
3 7.169000E+03 -4.819000E-05
|
||
|
|
4 2.030000E+03 -2.030600E-04
|
||
|
|
5 6.625000E+02 -7.391700E-04
|
||
|
|
6 2.392000E+02 -2.386030E-03
|
||
|
|
7 9.326000E+01 -6.986540E-03
|
||
|
|
8 3.864000E+01 -1.811594E-02
|
||
|
|
9 1.678000E+01 -4.123129E-02
|
||
|
|
10 7.541000E+00 -7.781353E-02
|
||
|
|
11 3.482000E+00 -1.212318E-01
|
||
|
|
12 1.618000E+00 -1.084302E-01
|
||
|
|
13 6.270000E-01 1.101651E-01
|
||
|
|
14 2.934000E-01 4.192185E-01
|
||
|
|
15 1.310000E-01 4.725292E-01
|
||
|
|
16 5.815000E-02 1.429450E-01
|
||
|
|
S 1
|
||
|
|
1 1.618000E+00 1.000000E+00
|
||
|
|
S 1
|
||
|
|
1 6.270000E-01 1.000000E+00
|
||
|
|
S 1
|
||
|
|
1 2.934000E-01 1.000000E+00
|
||
|
|
S 1
|
||
|
|
1 1.310000E-01 1.000000E+00
|
||
|
|
S 1
|
||
|
|
1 5.815000E-02 1.000000E+00
|
||
|
|
S 1
|
||
|
|
1 0.02300 1.0000
|
||
|
|
P 10
|
||
|
|
1 1.925000E+02 1.349000E-04
|
||
|
|
2 4.564000E+01 1.147410E-03
|
||
|
|
3 1.475000E+01 5.847930E-03
|
||
|
|
4 5.503000E+00 2.117091E-02
|
||
|
|
5 2.222000E+00 6.266872E-02
|
||
|
|
6 9.590000E-01 1.530276E-01
|
||
|
|
7 4.314000E-01 2.779789E-01
|
||
|
|
8 1.969000E-01 3.588891E-01
|
||
|
|
9 9.033000E-02 2.795015E-01
|
||
|
|
10 4.066000E-02 7.532647E-02
|
||
|
|
P 1
|
||
|
|
1 9.590000E-01 1.000000E+00
|
||
|
|
P 1
|
||
|
|
1 4.314000E-01 1.000000E+00
|
||
|
|
P 1
|
||
|
|
1 1.969000E-01 1.000000E+00
|
||
|
|
P 1
|
||
|
|
1 9.033000E-02 1.000000E+00
|
||
|
|
P 1
|
||
|
|
1 4.066000E-02 1.000000E+00
|
||
|
|
P 1
|
||
|
|
1 0.01365 1.0000
|
||
|
|
D 1
|
||
|
|
1 2.886000E+00 1.000000E+00
|
||
|
|
D 1
|
||
|
|
1 1.267000E+00 1.000000E+00
|
||
|
|
D 1
|
||
|
|
1 5.560000E-01 1.000000E+00
|
||
|
|
D 1
|
||
|
|
1 2.440000E-01 1.000000E+00
|
||
|
|
D 1
|
||
|
|
1 1.070000E-01 1.000000E+00
|
||
|
|
D 1
|
||
|
|
1 0.03920 1.0000
|
||
|
|
F 1
|
||
|
|
1 1.651000E+00 1.000000E+00
|
||
|
|
F 1
|
||
|
|
1 8.002000E-01 1.000000E+00
|
||
|
|
F 1
|
||
|
|
1 3.878000E-01 1.000000E+00
|
||
|
|
F 1
|
||
|
|
1 1.880000E-01 1.000000E+00
|
||
|
|
F 1
|
||
|
|
1 0.0733 1.0000
|
||
|
|
G 1
|
||
|
|
1 1.646900E+00 1.000000E+00
|
||
|
|
G 1
|
||
|
|
1 7.889000E-01 1.000000E+00
|
||
|
|
G 1
|
||
|
|
1 3.779000E-01 1.000000E+00
|
||
|
|
G 1
|
||
|
|
1 0.1620 1.0000
|
||
|
|
H 1
|
||
|
|
1 1.312000E+00 1.000000E+00
|
||
|
|
H 1
|
||
|
|
1 5.806000E-01 1.000000E+00
|
||
|
|
H 1
|
||
|
|
1 0.2880 1.0000
|
||
|
|
I 1
|
||
|
|
1 9.847000E-01 1.0000000
|
||
|
|
I 1
|
||
|
|
1 0.5000 1.0000
|
||
|
|
|
||
|
|
CARBON
|
||
|
|
S 16
|
||
|
|
1 3.121000E+05 5.670000E-06
|
||
|
|
2 4.674000E+04 4.410000E-05
|
||
|
|
3 1.064000E+04 2.319000E-04
|
||
|
|
4 3.013000E+03 9.789700E-04
|
||
|
|
5 9.828000E+02 3.551630E-03
|
||
|
|
6 3.548000E+02 1.144061E-02
|
||
|
|
7 1.384000E+02 3.299855E-02
|
||
|
|
8 5.735000E+01 8.405347E-02
|
||
|
|
9 2.492000E+01 1.806761E-01
|
||
|
|
10 1.123000E+01 3.049114E-01
|
||
|
|
11 5.201000E+00 3.414157E-01
|
||
|
|
12 2.426000E+00 1.771787E-01
|
||
|
|
13 9.673000E-01 1.892227E-02
|
||
|
|
14 4.456000E-01 -1.711210E-03
|
||
|
|
15 1.971000E-01 1.035780E-03
|
||
|
|
16 8.635000E-02 -1.520400E-04
|
||
|
|
S 16
|
||
|
|
1 3.121000E+05 -1.210000E-06
|
||
|
|
2 4.674000E+04 -9.390000E-06
|
||
|
|
3 1.064000E+04 -4.947000E-05
|
||
|
|
4 3.013000E+03 -2.085700E-04
|
||
|
|
5 9.828000E+02 -7.601500E-04
|
||
|
|
6 3.548000E+02 -2.454690E-03
|
||
|
|
7 1.384000E+02 -7.201530E-03
|
||
|
|
8 5.735000E+01 -1.880742E-02
|
||
|
|
9 2.492000E+01 -4.325001E-02
|
||
|
|
10 1.123000E+01 -8.259733E-02
|
||
|
|
11 5.201000E+00 -1.285759E-01
|
||
|
|
12 2.426000E+00 -1.076028E-01
|
||
|
|
13 9.673000E-01 1.240773E-01
|
||
|
|
14 4.456000E-01 4.285177E-01
|
||
|
|
15 1.971000E-01 4.612332E-01
|
||
|
|
16 8.635000E-02 1.376166E-01
|
||
|
|
S 1
|
||
|
|
1 2.426000E+00 1.000000E+00
|
||
|
|
S 1
|
||
|
|
1 9.673000E-01 1.000000E+00
|
||
|
|
S 1
|
||
|
|
1 4.456000E-01 1.000000E+00
|
||
|
|
S 1
|
||
|
|
1 1.971000E-01 1.000000E+00
|
||
|
|
S 1
|
||
|
|
1 8.635000E-02 1.000000E+00
|
||
|
|
S 1
|
||
|
|
1 0.03540 1.0000
|
||
|
|
P 10
|
||
|
|
1 2.952000E+02 1.424900E-04
|
||
|
|
2 6.998000E+01 1.220100E-03
|
||
|
|
3 2.264000E+01 6.336960E-03
|
||
|
|
4 8.485000E+00 2.351875E-02
|
||
|
|
5 3.459000E+00 6.990447E-02
|
||
|
|
6 1.504000E+00 1.654605E-01
|
||
|
|
7 6.783000E-01 2.871044E-01
|
||
|
|
8 3.087000E-01 3.528027E-01
|
||
|
|
9 1.400000E-01 2.653366E-01
|
||
|
|
10 6.178000E-02 7.173361E-02
|
||
|
|
P 1
|
||
|
|
1 1.504000E+00 1.000000E+00
|
||
|
|
P 1
|
||
|
|
1 6.783000E-01 1.000000E+00
|
||
|
|
P 1
|
||
|
|
1 3.087000E-01 1.000000E+00
|
||
|
|
P 1
|
||
|
|
1 1.400000E-01 1.000000E+00
|
||
|
|
P 1
|
||
|
|
1 6.178000E-02 1.000000E+00
|
||
|
|
P 1
|
||
|
|
1 0.02376 1.0000
|
||
|
|
D 1
|
||
|
|
1 4.542000E+00 1.000000E+00
|
||
|
|
D 1
|
||
|
|
1 1.979000E+00 1.000000E+00
|
||
|
|
D 1
|
||
|
|
1 8.621000E-01 1.000000E+00
|
||
|
|
D 1
|
||
|
|
1 3.756000E-01 1.000000E+00
|
||
|
|
D 1
|
||
|
|
1 1.636000E-01 1.000000E+00
|
||
|
|
D 1
|
||
|
|
1 0.06360 1.0000
|
||
|
|
F 1
|
||
|
|
1 2.631000E+00 1.000000E+00
|
||
|
|
F 1
|
||
|
|
1 1.255000E+00 1.000000E+00
|
||
|
|
F 1
|
||
|
|
1 5.988000E-01 1.000000E+00
|
||
|
|
F 1
|
||
|
|
1 2.857000E-01 1.000000E+00
|
||
|
|
F 1
|
||
|
|
1 0.1180 1.0000
|
||
|
|
G 1
|
||
|
|
1 2.652000E+00 1.000000E+00
|
||
|
|
G 1
|
||
|
|
1 1.204000E+00 1.000000E+00
|
||
|
|
G 1
|
||
|
|
1 5.470000E-01 1.000000E+00
|
||
|
|
G 1
|
||
|
|
1 0.2540 1.0000
|
||
|
|
H 1
|
||
|
|
1 2.030000E+00 1.000000E+00
|
||
|
|
H 1
|
||
|
|
1 8.511000E-01 1.000000E+00
|
||
|
|
H 1
|
||
|
|
1 0.4510 1.0000
|
||
|
|
I 1
|
||
|
|
1 1.491000E+00 1.0000000
|
||
|
|
I 1
|
||
|
|
1 0.7760 1.0000
|
||
|
|
|
||
|
|
NITROGEN
|
||
|
|
S 16
|
||
|
|
1 4.323000E+05 5.590000E-06
|
||
|
|
2 6.470000E+04 4.351000E-05
|
||
|
|
3 1.472000E+04 2.289300E-04
|
||
|
|
4 4.170000E+03 9.650200E-04
|
||
|
|
5 1.361000E+03 3.502190E-03
|
||
|
|
6 4.912000E+02 1.129212E-02
|
||
|
|
7 1.916000E+02 3.261283E-02
|
||
|
|
8 7.941000E+01 8.329727E-02
|
||
|
|
9 3.453000E+01 1.799857E-01
|
||
|
|
10 1.558000E+01 3.050035E-01
|
||
|
|
11 7.232000E+00 3.411593E-01
|
||
|
|
12 3.382000E+00 1.774827E-01
|
||
|
|
13 1.369000E+00 1.988409E-02
|
||
|
|
14 6.248000E-01 -1.246630E-03
|
||
|
|
15 2.747000E-01 1.040110E-03
|
||
|
|
16 1.192000E-01 -1.265900E-04
|
||
|
|
S 16
|
||
|
|
1 4.323000E+05 -1.230000E-06
|
||
|
|
2 6.470000E+04 -9.580000E-06
|
||
|
|
3 1.472000E+04 -5.051000E-05
|
||
|
|
4 4.170000E+03 -2.126400E-04
|
||
|
|
5 1.361000E+03 -7.753400E-04
|
||
|
|
6 4.912000E+02 -2.506240E-03
|
||
|
|
7 1.916000E+02 -7.365290E-03
|
||
|
|
8 7.941000E+01 -1.930167E-02
|
||
|
|
9 3.453000E+01 -4.471738E-02
|
||
|
|
10 1.558000E+01 -8.606647E-02
|
||
|
|
11 7.232000E+00 -1.332963E-01
|
||
|
|
12 3.382000E+00 -1.059655E-01
|
||
|
|
13 1.369000E+00 1.346673E-01
|
||
|
|
14 6.248000E-01 4.339401E-01
|
||
|
|
15 2.747000E-01 4.529490E-01
|
||
|
|
16 1.192000E-01 1.340216E-01
|
||
|
|
S 1
|
||
|
|
1 3.382000E+00 1.000000E+00
|
||
|
|
S 1
|
||
|
|
1 1.369000E+00 1.000000E+00
|
||
|
|
S 1
|
||
|
|
1 6.248000E-01 1.000000E+00
|
||
|
|
S 1
|
||
|
|
1 2.747000E-01 1.000000E+00
|
||
|
|
S 1
|
||
|
|
1 1.192000E-01 1.000000E+00
|
||
|
|
S 1
|
||
|
|
1 0.04714 1.0000
|
||
|
|
P 10
|
||
|
|
1 4.159000E+02 1.484100E-04
|
||
|
|
2 9.861000E+01 1.276340E-03
|
||
|
|
3 3.192000E+01 6.702420E-03
|
||
|
|
4 1.200000E+01 2.526170E-02
|
||
|
|
5 4.919000E+00 7.518943E-02
|
||
|
|
6 2.148000E+00 1.740151E-01
|
||
|
|
7 9.696000E-01 2.927921E-01
|
||
|
|
8 4.399000E-01 3.482648E-01
|
||
|
|
9 1.978000E-01 2.559365E-01
|
||
|
|
10 8.603000E-02 6.947929E-02
|
||
|
|
P 1
|
||
|
|
1 2.148000E+00 1.000000E+00
|
||
|
|
P 1
|
||
|
|
1 9.696000E-01 1.000000E+00
|
||
|
|
P 1
|
||
|
|
1 4.399000E-01 1.000000E+00
|
||
|
|
P 1
|
||
|
|
1 1.978000E-01 1.000000E+00
|
||
|
|
P 1
|
||
|
|
1 8.603000E-02 1.000000E+00
|
||
|
|
P 1
|
||
|
|
1 0.03150 1.0000
|
||
|
|
D 1
|
||
|
|
1 6.717000E+00 1.000000E+00
|
||
|
|
D 1
|
||
|
|
1 2.896000E+00 1.000000E+00
|
||
|
|
D 1
|
||
|
|
1 1.249000E+00 1.000000E+00
|
||
|
|
D 1
|
||
|
|
1 5.380000E-01 1.000000E+00
|
||
|
|
D 1
|
||
|
|
1 2.320000E-01 1.000000E+00
|
||
|
|
D 1
|
||
|
|
1 0.0874 1.0000
|
||
|
|
F 1
|
||
|
|
1 3.829000E+00 1.000000E+00
|
||
|
|
F 1
|
||
|
|
1 1.795000E+00 1.000000E+00
|
||
|
|
F 1
|
||
|
|
1 8.410000E-01 1.000000E+00
|
||
|
|
F 1
|
||
|
|
1 3.940000E-01 1.000000E+00
|
||
|
|
F 1
|
||
|
|
1 0.1510 1.0000
|
||
|
|
G 1
|
||
|
|
1 3.856000E+00 1.000000E+00
|
||
|
|
G 1
|
||
|
|
1 1.702000E+00 1.000000E+00
|
||
|
|
G 1
|
||
|
|
1 7.510000E-01 1.000000E+00
|
||
|
|
G 1
|
||
|
|
1 0.3260 1.0000
|
||
|
|
H 1
|
||
|
|
1 2.875000E+00 1.000000E+00
|
||
|
|
H 1
|
||
|
|
1 1.170000E+00 1.000000E+00
|
||
|
|
H 1
|
||
|
|
1 0.5870 1.0000
|
||
|
|
I 1
|
||
|
|
1 2.099000E+00 1.0000000
|
||
|
|
I 1
|
||
|
|
1 1.0410 1.0000
|
||
|
|
|
||
|
|
OXYGEN
|
||
|
|
S 16
|
||
|
|
1 5.708000E+05 5.550000E-06
|
||
|
|
2 8.548000E+04 4.311000E-05
|
||
|
|
3 1.946000E+04 2.266700E-04
|
||
|
|
4 5.512000E+03 9.563700E-04
|
||
|
|
5 1.798000E+03 3.473200E-03
|
||
|
|
6 6.489000E+02 1.119778E-02
|
||
|
|
7 2.531000E+02 3.238766E-02
|
||
|
|
8 1.049000E+02 8.285977E-02
|
||
|
|
9 4.565000E+01 1.795838E-01
|
||
|
|
10 2.062000E+01 3.052211E-01
|
||
|
|
11 9.587000E+00 3.408935E-01
|
||
|
|
12 4.493000E+00 1.774261E-01
|
||
|
|
13 1.837000E+00 2.049107E-02
|
||
|
|
14 8.349000E-01 -9.680700E-04
|
||
|
|
15 3.658000E-01 1.057150E-03
|
||
|
|
16 1.570000E-01 -9.721000E-05
|
||
|
|
S 16
|
||
|
|
1 5.708000E+05 -1.260000E-06
|
||
|
|
2 8.548000E+04 -9.770000E-06
|
||
|
|
3 1.946000E+04 -5.148000E-05
|
||
|
|
4 5.512000E+03 -2.169600E-04
|
||
|
|
5 1.798000E+03 -7.916200E-04
|
||
|
|
6 6.489000E+02 -2.559000E-03
|
||
|
|
7 2.531000E+02 -7.533130E-03
|
||
|
|
8 1.049000E+02 -1.978897E-02
|
||
|
|
9 4.565000E+01 -4.606288E-02
|
||
|
|
10 2.062000E+01 -8.919560E-02
|
||
|
|
11 9.587000E+00 -1.375422E-01
|
||
|
|
12 4.493000E+00 -1.051195E-01
|
||
|
|
13 1.837000E+00 1.447714E-01
|
||
|
|
14 8.349000E-01 4.414634E-01
|
||
|
|
15 3.658000E-01 4.446814E-01
|
||
|
|
16 1.570000E-01 1.282426E-01
|
||
|
|
S 1
|
||
|
|
1 4.493000E+00 1.000000E+00
|
||
|
|
S 1
|
||
|
|
1 1.837000E+00 1.000000E+00
|
||
|
|
S 1
|
||
|
|
1 8.349000E-01 1.000000E+00
|
||
|
|
S 1
|
||
|
|
1 3.658000E-01 1.000000E+00
|
||
|
|
S 1
|
||
|
|
1 1.570000E-01 1.000000E+00
|
||
|
|
S 1
|
||
|
|
1 0.05935 1.0000
|
||
|
|
P 10
|
||
|
|
1 5.256000E+02 1.666400E-04
|
||
|
|
2 1.246000E+02 1.433360E-03
|
||
|
|
3 4.034000E+01 7.547620E-03
|
||
|
|
4 1.518000E+01 2.859456E-02
|
||
|
|
5 6.245000E+00 8.438858E-02
|
||
|
|
6 2.732000E+00 1.874834E-01
|
||
|
|
7 1.227000E+00 2.979058E-01
|
||
|
|
8 5.492000E-01 3.385575E-01
|
||
|
|
9 2.418000E-01 2.472609E-01
|
||
|
|
10 1.025000E-01 7.003350E-02
|
||
|
|
P 1
|
||
|
|
1 2.732000E+00 1.000000E+00
|
||
|
|
P 1
|
||
|
|
1 1.227000E+00 1.000000E+00
|
||
|
|
P 1
|
||
|
|
1 5.492000E-01 1.000000E+00
|
||
|
|
P 1
|
||
|
|
1 2.418000E-01 1.000000E+00
|
||
|
|
P 1
|
||
|
|
1 1.025000E-01 1.000000E+00
|
||
|
|
P 1
|
||
|
|
1 0.03380 1.0000
|
||
|
|
D 1
|
||
|
|
1 8.253000E+00 1.000000E+00
|
||
|
|
D 1
|
||
|
|
1 3.597000E+00 1.000000E+00
|
||
|
|
D 1
|
||
|
|
1 1.568000E+00 1.000000E+00
|
||
|
|
D 1
|
||
|
|
1 6.840000E-01 1.000000E+00
|
||
|
|
D 1
|
||
|
|
1 2.980000E-01 1.000000E+00
|
||
|
|
D 1
|
||
|
|
1 0.1150 1.0000
|
||
|
|
F 1
|
||
|
|
1 5.430000E+00 1.000000E+00
|
||
|
|
F 1
|
||
|
|
1 2.416000E+00 1.000000E+00
|
||
|
|
F 1
|
||
|
|
1 1.075000E+00 1.000000E+00
|
||
|
|
F 1
|
||
|
|
1 4.780000E-01 1.000000E+00
|
||
|
|
F 1
|
||
|
|
1 0.1950 1.0000
|
||
|
|
G 1
|
||
|
|
1 5.211000E+00 1.000000E+00
|
||
|
|
G 1
|
||
|
|
1 2.190000E+00 1.000000E+00
|
||
|
|
G 1
|
||
|
|
1 9.200000E-01 1.000000E+00
|
||
|
|
G 1
|
||
|
|
1 0.4060 1.0000
|
||
|
|
H 1
|
||
|
|
1 3.872000E+00 1.000000E+00
|
||
|
|
H 1
|
||
|
|
1 1.505000E+00 1.000000E+00
|
||
|
|
H 1
|
||
|
|
1 0.7480 1.0000
|
||
|
|
I 1
|
||
|
|
1 2.773000E+00 1.0000000
|
||
|
|
I 1
|
||
|
|
1 1.3450 1.0000
|
||
|
|
|
||
|
|
FLUORINE
|
||
|
|
S 16
|
||
|
|
1 7.235000E+05 5.560000E-06
|
||
|
|
2 1.084000E+05 4.318000E-05
|
||
|
|
3 2.468000E+04 2.270000E-04
|
||
|
|
4 6.990000E+03 9.580300E-04
|
||
|
|
5 2.282000E+03 3.470150E-03
|
||
|
|
6 8.246000E+02 1.118526E-02
|
||
|
|
7 3.218000E+02 3.232880E-02
|
||
|
|
8 1.335000E+02 8.279545E-02
|
||
|
|
9 5.811000E+01 1.798802E-01
|
||
|
|
10 2.628000E+01 3.055783E-01
|
||
|
|
11 1.224000E+01 3.402684E-01
|
||
|
|
12 5.747000E+00 1.766824E-01
|
||
|
|
13 2.365000E+00 2.085475E-02
|
||
|
|
14 1.071000E+00 -7.532200E-04
|
||
|
|
15 4.681000E-01 1.074440E-03
|
||
|
|
16 1.994000E-01 -7.951000E-05
|
||
|
|
S 16
|
||
|
|
1 7.235000E+05 -1.290000E-06
|
||
|
|
2 1.084000E+05 -9.990000E-06
|
||
|
|
3 2.468000E+04 -5.260000E-05
|
||
|
|
4 6.990000E+03 -2.217200E-04
|
||
|
|
5 2.282000E+03 -8.069200E-04
|
||
|
|
6 8.246000E+02 -2.608170E-03
|
||
|
|
7 3.218000E+02 -7.674020E-03
|
||
|
|
8 1.335000E+02 -2.019353E-02
|
||
|
|
9 5.811000E+01 -4.718752E-02
|
||
|
|
10 2.628000E+01 -9.158009E-02
|
||
|
|
11 1.224000E+01 -1.404856E-01
|
||
|
|
12 5.747000E+00 -1.036709E-01
|
||
|
|
13 2.365000E+00 1.528205E-01
|
||
|
|
14 1.071000E+00 4.461458E-01
|
||
|
|
15 4.681000E-01 4.381181E-01
|
||
|
|
16 1.994000E-01 1.244705E-01
|
||
|
|
S 1
|
||
|
|
1 5.747000E+00 1.000000E+00
|
||
|
|
S 1
|
||
|
|
1 2.365000E+00 1.000000E+00
|
||
|
|
S 1
|
||
|
|
1 1.071000E+00 1.000000E+00
|
||
|
|
S 1
|
||
|
|
1 4.681000E-01 1.000000E+00
|
||
|
|
S 1
|
||
|
|
1 1.994000E-01 1.000000E+00
|
||
|
|
S 1
|
||
|
|
1 0.07315 1.0000
|
||
|
|
P 10
|
||
|
|
1 6.600000E+02 1.772100E-04
|
||
|
|
2 1.564000E+02 1.526910E-03
|
||
|
|
3 5.064000E+01 8.072070E-03
|
||
|
|
4 1.908000E+01 3.074021E-02
|
||
|
|
5 7.872000E+00 9.011914E-02
|
||
|
|
6 3.449000E+00 1.952879E-01
|
||
|
|
7 1.545000E+00 3.010769E-01
|
||
|
|
8 6.864000E-01 3.332207E-01
|
||
|
|
9 2.986000E-01 2.411468E-01
|
||
|
|
10 1.245000E-01 6.967220E-02
|
||
|
|
P 1
|
||
|
|
1 3.449000E+00 1.000000E+00
|
||
|
|
P 1
|
||
|
|
1 1.545000E+00 1.000000E+00
|
||
|
|
P 1
|
||
|
|
1 6.864000E-01 1.000000E+00
|
||
|
|
P 1
|
||
|
|
1 2.986000E-01 1.000000E+00
|
||
|
|
P 1
|
||
|
|
1 1.245000E-01 1.000000E+00
|
||
|
|
P 1
|
||
|
|
1 0.04760 1.0000
|
||
|
|
D 1
|
||
|
|
1 1.057300E+01 1.000000E+00
|
||
|
|
D 1
|
||
|
|
1 4.613000E+00 1.000000E+00
|
||
|
|
D 1
|
||
|
|
1 2.013000E+00 1.000000E+00
|
||
|
|
D 1
|
||
|
|
1 8.780000E-01 1.000000E+00
|
||
|
|
D 1
|
||
|
|
1 3.830000E-01 1.000000E+00
|
||
|
|
D 1
|
||
|
|
1 0.1510 1.0000
|
||
|
|
F 1
|
||
|
|
1 7.563000E+00 1.000000E+00
|
||
|
|
F 1
|
||
|
|
1 3.330000E+00 1.000000E+00
|
||
|
|
F 1
|
||
|
|
1 1.466000E+00 1.000000E+00
|
||
|
|
F 1
|
||
|
|
1 6.450000E-01 1.000000E+00
|
||
|
|
F 1
|
||
|
|
1 0.2720 1.0000
|
||
|
|
G 1
|
||
|
|
1 6.735000E+00 1.000000E+00
|
||
|
|
G 1
|
||
|
|
1 2.783000E+00 1.000000E+00
|
||
|
|
G 1
|
||
|
|
1 1.150000E+00 1.000000E+00
|
||
|
|
G 1
|
||
|
|
1 0.5200 1.0000
|
||
|
|
H 1
|
||
|
|
1 5.088000E+00 1.000000E+00
|
||
|
|
H 1
|
||
|
|
1 1.937000E+00 1.000000E+00
|
||
|
|
H 1
|
||
|
|
1 0.9850 1.0000
|
||
|
|
I 1
|
||
|
|
1 3.581000E+00 1.0000000
|
||
|
|
I 1
|
||
|
|
1 1.7390 1.0000
|
||
|
|
|
||
|
|
NEON
|
||
|
|
S 16
|
||
|
|
1 9.024000E+05 5.510000E-06
|
||
|
|
2 1.351000E+05 4.282000E-05
|
||
|
|
3 3.075000E+04 2.251400E-04
|
||
|
|
4 8.710000E+03 9.501600E-04
|
||
|
|
5 2.842000E+03 3.447190E-03
|
||
|
|
6 1.026000E+03 1.112545E-02
|
||
|
|
7 4.001000E+02 3.220568E-02
|
||
|
|
8 1.659000E+02 8.259891E-02
|
||
|
|
9 7.221000E+01 1.799056E-01
|
||
|
|
10 3.266000E+01 3.060521E-01
|
||
|
|
11 1.522000E+01 3.401256E-01
|
||
|
|
12 7.149000E+00 1.761682E-01
|
||
|
|
13 2.957000E+00 2.101527E-02
|
||
|
|
14 1.335000E+00 -5.074500E-04
|
||
|
|
15 5.816000E-01 1.057850E-03
|
||
|
|
16 2.463000E-01 -5.988000E-05
|
||
|
|
S 16
|
||
|
|
1 9.024000E+05 -1.290000E-06
|
||
|
|
2 1.351000E+05 -1.005000E-05
|
||
|
|
3 3.075000E+04 -5.293000E-05
|
||
|
|
4 8.710000E+03 -2.231200E-04
|
||
|
|
5 2.842000E+03 -8.133800E-04
|
||
|
|
6 1.026000E+03 -2.632300E-03
|
||
|
|
7 4.001000E+02 -7.759100E-03
|
||
|
|
8 1.659000E+02 -2.045277E-02
|
||
|
|
9 7.221000E+01 -4.797505E-02
|
||
|
|
10 3.266000E+01 -9.340086E-02
|
||
|
|
11 1.522000E+01 -1.427721E-01
|
||
|
|
12 7.149000E+00 -1.022908E-01
|
||
|
|
13 2.957000E+00 1.587858E-01
|
||
|
|
14 1.335000E+00 4.494079E-01
|
||
|
|
15 5.816000E-01 4.334854E-01
|
||
|
|
16 2.463000E-01 1.215757E-01
|
||
|
|
S 1
|
||
|
|
1 7.149000E+00 1.000000E+00
|
||
|
|
S 1
|
||
|
|
1 2.957000E+00 1.000000E+00
|
||
|
|
S 1
|
||
|
|
1 1.335000E+00 1.000000E+00
|
||
|
|
S 1
|
||
|
|
1 5.816000E-01 1.000000E+00
|
||
|
|
S 1
|
||
|
|
1 2.463000E-01 1.000000E+00
|
||
|
|
S 1
|
||
|
|
1 0.0869 1.0000
|
||
|
|
P 10
|
||
|
|
1 8.156000E+02 1.837600E-04
|
||
|
|
2 1.933000E+02 1.585090E-03
|
||
|
|
3 6.260000E+01 8.414640E-03
|
||
|
|
4 2.361000E+01 3.220033E-02
|
||
|
|
5 9.762000E+00 9.396390E-02
|
||
|
|
6 4.281000E+00 2.004808E-01
|
||
|
|
7 1.915000E+00 3.031137E-01
|
||
|
|
8 8.476000E-01 3.297578E-01
|
||
|
|
9 3.660000E-01 2.366743E-01
|
||
|
|
10 1.510000E-01 6.911689E-02
|
||
|
|
P 1
|
||
|
|
1 4.281000E+00 1.000000E+00
|
||
|
|
P 1
|
||
|
|
1 1.915000E+00 1.000000E+00
|
||
|
|
P 1
|
||
|
|
1 8.476000E-01 1.000000E+00
|
||
|
|
P 1
|
||
|
|
1 3.660000E-01 1.000000E+00
|
||
|
|
P 1
|
||
|
|
1 1.510000E-01 1.000000E+00
|
||
|
|
P 1
|
||
|
|
1 0.0566 1.0000
|
||
|
|
D 1
|
||
|
|
1 1.331700E+01 1.000000E+00
|
||
|
|
D 1
|
||
|
|
1 5.803000E+00 1.000000E+00
|
||
|
|
D 1
|
||
|
|
1 2.529000E+00 1.000000E+00
|
||
|
|
D 1
|
||
|
|
1 1.102000E+00 1.000000E+00
|
||
|
|
D 1
|
||
|
|
1 4.800000E-01 1.000000E+00
|
||
|
|
D 1
|
||
|
|
1 0.1870 1.0000
|
||
|
|
F 1
|
||
|
|
1 1.035600E+01 1.000000E+00
|
||
|
|
F 1
|
||
|
|
1 4.538000E+00 1.000000E+00
|
||
|
|
F 1
|
||
|
|
1 1.989000E+00 1.000000E+00
|
||
|
|
F 1
|
||
|
|
1 8.710000E-01 1.000000E+00
|
||
|
|
F 1
|
||
|
|
1 0.3492 1.0000
|
||
|
|
G 1
|
||
|
|
1 8.345000E+00 1.000000E+00
|
||
|
|
G 1
|
||
|
|
1 3.417000E+00 1.000000E+00
|
||
|
|
G 1
|
||
|
|
1 1.399000E+00 1.000000E+00
|
||
|
|
G 1
|
||
|
|
1 0.6345 1.0000
|
||
|
|
H 1
|
||
|
|
1 6.519000E+00 1.000000E+00
|
||
|
|
H 1
|
||
|
|
1 2.447000E+00 1.000000E+00
|
||
|
|
H 1
|
||
|
|
1 1.2093 1.0000
|
||
|
|
I 1
|
||
|
|
1 4.489000E+00 1.0000000
|
||
|
|
I 1
|
||
|
|
1 2.1215 1.0000
|
||
|
|
|
||
|
|
ALUMINUM
|
||
|
|
S 21
|
||
|
|
1 3.652000E+06 1.900000E-06
|
||
|
|
2 5.468000E+05 1.450000E-05
|
||
|
|
3 1.245000E+05 7.620000E-05
|
||
|
|
4 3.544000E+04 3.158000E-04
|
||
|
|
5 1.184000E+04 1.097400E-03
|
||
|
|
6 4.434000E+03 3.369700E-03
|
||
|
|
7 1.812000E+03 9.322200E-03
|
||
|
|
8 7.915000E+02 2.379920E-02
|
||
|
|
9 3.610000E+02 5.681910E-02
|
||
|
|
10 1.695000E+02 1.224680E-01
|
||
|
|
11 8.168000E+01 2.238970E-01
|
||
|
|
12 4.028000E+01 3.134460E-01
|
||
|
|
13 2.025000E+01 2.749750E-01
|
||
|
|
14 1.023000E+01 1.105640E-01
|
||
|
|
15 4.802000E+00 1.192150E-02
|
||
|
|
16 2.339000E+00 6.528000E-04
|
||
|
|
17 1.163000E+00 4.735000E-04
|
||
|
|
18 5.882000E-01 -2.700000E-05
|
||
|
|
19 2.311000E-01 1.760000E-05
|
||
|
|
20 1.027000E-01 -1.030000E-05
|
||
|
|
21 4.521000E-02 1.900000E-06
|
||
|
|
S 21
|
||
|
|
1 3.652000E+06 -5.000000E-07
|
||
|
|
2 5.468000E+05 -3.800000E-06
|
||
|
|
3 1.245000E+05 -1.980000E-05
|
||
|
|
4 3.544000E+04 -8.210000E-05
|
||
|
|
5 1.184000E+04 -2.858000E-04
|
||
|
|
6 4.434000E+03 -8.785000E-04
|
||
|
|
7 1.812000E+03 -2.448200E-03
|
||
|
|
8 7.915000E+02 -6.310000E-03
|
||
|
|
9 3.610000E+02 -1.548540E-02
|
||
|
|
10 1.695000E+02 -3.495890E-02
|
||
|
|
11 8.168000E+01 -7.077290E-02
|
||
|
|
12 4.028000E+01 -1.194230E-01
|
||
|
|
13 2.025000E+01 -1.488420E-01
|
||
|
|
14 1.023000E+01 -5.904650E-02
|
||
|
|
15 4.802000E+00 2.166930E-01
|
||
|
|
16 2.339000E+00 4.765570E-01
|
||
|
|
17 1.163000E+00 3.755900E-01
|
||
|
|
18 5.882000E-01 8.665810E-02
|
||
|
|
19 2.311000E-01 2.433700E-03
|
||
|
|
20 1.027000E-01 -2.391000E-04
|
||
|
|
21 4.521000E-02 1.198000E-04
|
||
|
|
S 21
|
||
|
|
1 3.652000E+06 1.000000E-07
|
||
|
|
2 5.468000E+05 9.000000E-07
|
||
|
|
3 1.245000E+05 4.600000E-06
|
||
|
|
4 3.544000E+04 1.900000E-05
|
||
|
|
5 1.184000E+04 6.590000E-05
|
||
|
|
6 4.434000E+03 2.031000E-04
|
||
|
|
7 1.812000E+03 5.647000E-04
|
||
|
|
8 7.915000E+02 1.462000E-03
|
||
|
|
9 3.610000E+02 3.579400E-03
|
||
|
|
10 1.695000E+02 8.151600E-03
|
||
|
|
11 8.168000E+01 1.652760E-02
|
||
|
|
12 4.028000E+01 2.854670E-02
|
||
|
|
13 2.025000E+01 3.614840E-02
|
||
|
|
14 1.023000E+01 1.538040E-02
|
||
|
|
15 4.802000E+00 -6.121410E-02
|
||
|
|
16 2.339000E+00 -1.512630E-01
|
||
|
|
17 1.163000E+00 -2.230120E-01
|
||
|
|
18 5.882000E-01 -8.328640E-02
|
||
|
|
19 2.311000E-01 3.868300E-01
|
||
|
|
20 1.027000E-01 5.904320E-01
|
||
|
|
21 4.521000E-02 2.100750E-01
|
||
|
|
S 1
|
||
|
|
1 1.163000E+00 1.000000E+00
|
||
|
|
S 1
|
||
|
|
1 5.882000E-01 1.000000E+00
|
||
|
|
S 1
|
||
|
|
1 2.311000E-01 1.000000E+00
|
||
|
|
S 1
|
||
|
|
1 1.027000E-01 1.000000E+00
|
||
|
|
S 1
|
||
|
|
1 4.521000E-02 1.000000E+00
|
||
|
|
S 1
|
||
|
|
1 0.01737 1.0000
|
||
|
|
P 14
|
||
|
|
1 2.884000E+03 6.380000E-05
|
||
|
|
2 6.832000E+02 5.631000E-04
|
||
|
|
3 2.220000E+02 3.169100E-03
|
||
|
|
4 8.482000E+01 1.324010E-02
|
||
|
|
5 3.581000E+01 4.334030E-02
|
||
|
|
6 1.622000E+01 1.119500E-01
|
||
|
|
7 7.702000E+00 2.177960E-01
|
||
|
|
8 3.741000E+00 3.116750E-01
|
||
|
|
9 1.831000E+00 3.167220E-01
|
||
|
|
10 8.878000E-01 1.796130E-01
|
||
|
|
11 3.989000E-01 3.151090E-02
|
||
|
|
12 1.718000E-01 7.280000E-05
|
||
|
|
13 7.298000E-02 6.593000E-04
|
||
|
|
14 3.069000E-02 -1.414000E-04
|
||
|
|
P 14
|
||
|
|
1 2.884000E+03 -8.000000E-06
|
||
|
|
2 6.832000E+02 -6.510000E-05
|
||
|
|
3 2.220000E+02 -3.999000E-04
|
||
|
|
4 8.482000E+01 -1.536900E-03
|
||
|
|
5 3.581000E+01 -5.564400E-03
|
||
|
|
6 1.622000E+01 -1.311060E-02
|
||
|
|
7 7.702000E+00 -2.972000E-02
|
||
|
|
8 3.741000E+00 -3.471950E-02
|
||
|
|
9 1.831000E+00 -5.516210E-02
|
||
|
|
10 8.878000E-01 -2.169900E-03
|
||
|
|
11 3.989000E-01 2.515620E-02
|
||
|
|
12 1.718000E-01 3.172270E-01
|
||
|
|
13 7.298000E-02 9.778030E-02
|
||
|
|
14 3.069000E-02 7.163440E-01
|
||
|
|
P 1
|
||
|
|
1 8.878000E-01 1.000000E+00
|
||
|
|
P 1
|
||
|
|
1 3.989000E-01 1.000000E+00
|
||
|
|
P 1
|
||
|
|
1 1.718000E-01 1.000000E+00
|
||
|
|
P 1
|
||
|
|
1 7.298000E-02 1.000000E+00
|
||
|
|
P 1
|
||
|
|
1 3.069000E-02 1.000000E+00
|
||
|
|
P 1
|
||
|
|
1 0.01021 1.0000
|
||
|
|
D 1
|
||
|
|
1 2.214300E+00 1.000000E+00
|
||
|
|
D 1
|
||
|
|
1 9.449000E-01 1.000000E+00
|
||
|
|
D 1
|
||
|
|
1 4.032000E-01 1.000000E+00
|
||
|
|
D 1
|
||
|
|
1 1.721000E-01 1.000000E+00
|
||
|
|
D 1
|
||
|
|
1 7.343000E-02 1.000000E+00
|
||
|
|
D 1
|
||
|
|
1 0.02666 1.0000
|
||
|
|
F 1
|
||
|
|
1 8.756000E-01 1.000000E+00
|
||
|
|
F 1
|
||
|
|
1 4.472000E-01 1.000000E+00
|
||
|
|
F 1
|
||
|
|
1 2.284000E-01 1.000000E+00
|
||
|
|
F 1
|
||
|
|
1 1.167000E-01 1.000000E+00
|
||
|
|
F 1
|
||
|
|
1 0.04625 1.0000
|
||
|
|
G 1
|
||
|
|
1 6.952000E-01 1.000000E+00
|
||
|
|
G 1
|
||
|
|
1 3.771000E-01 1.000000E+00
|
||
|
|
G 1
|
||
|
|
1 2.046000E-01 1.000000E+00
|
||
|
|
G 1
|
||
|
|
1 0.08545 1.0000
|
||
|
|
H 1
|
||
|
|
1 6.560000E-01 1.000000E+00
|
||
|
|
H 1
|
||
|
|
1 3.300000E-01 1.000000E+00
|
||
|
|
H 1
|
||
|
|
1 0.16550 1.0000
|
||
|
|
I 1
|
||
|
|
1 5.302000E-01 1.0000000
|
||
|
|
I 1
|
||
|
|
1 0.29900 1.0000
|
||
|
|
|
||
|
|
SILICON
|
||
|
|
S 21
|
||
|
|
1 4.465000E+06 1.700000E-06
|
||
|
|
2 6.685000E+05 1.360000E-05
|
||
|
|
3 1.522000E+05 7.140000E-05
|
||
|
|
4 4.330000E+04 2.973000E-04
|
||
|
|
5 1.441000E+04 1.038300E-03
|
||
|
|
6 5.394000E+03 3.174700E-03
|
||
|
|
7 2.212000E+03 8.732400E-03
|
||
|
|
8 9.681000E+02 2.238300E-02
|
||
|
|
9 4.412000E+02 5.372730E-02
|
||
|
|
10 2.071000E+02 1.166490E-01
|
||
|
|
11 9.980000E+01 2.159780E-01
|
||
|
|
12 4.924000E+01 3.095660E-01
|
||
|
|
13 2.474000E+01 2.839450E-01
|
||
|
|
14 1.247000E+01 1.222320E-01
|
||
|
|
15 5.795000E+00 1.419520E-02
|
||
|
|
16 2.830000E+00 3.121000E-04
|
||
|
|
17 1.407000E+00 6.190000E-04
|
||
|
|
18 6.995000E-01 -1.275000E-04
|
||
|
|
19 3.083000E-01 5.060000E-05
|
||
|
|
20 1.385000E-01 -2.790000E-05
|
||
|
|
21 6.145000E-02 5.400000E-06
|
||
|
|
S 21
|
||
|
|
1 4.465000E+06 -5.000000E-07
|
||
|
|
2 6.685000E+05 -3.600000E-06
|
||
|
|
3 1.522000E+05 -1.900000E-05
|
||
|
|
4 4.330000E+04 -7.910000E-05
|
||
|
|
5 1.441000E+04 -2.769000E-04
|
||
|
|
6 5.394000E+03 -8.472000E-04
|
||
|
|
7 2.212000E+03 -2.347800E-03
|
||
|
|
8 9.681000E+02 -6.070500E-03
|
||
|
|
9 4.412000E+02 -1.497110E-02
|
||
|
|
10 2.071000E+02 -3.397290E-02
|
||
|
|
11 9.980000E+01 -6.945840E-02
|
||
|
|
12 4.924000E+01 -1.190010E-01
|
||
|
|
13 2.474000E+01 -1.536450E-01
|
||
|
|
14 1.247000E+01 -7.046840E-02
|
||
|
|
15 5.795000E+00 2.131490E-01
|
||
|
|
16 2.830000E+00 4.915960E-01
|
||
|
|
17 1.407000E+00 3.783100E-01
|
||
|
|
18 6.995000E-01 7.575240E-02
|
||
|
|
19 3.083000E-01 1.584000E-03
|
||
|
|
20 1.385000E-01 3.435000E-04
|
||
|
|
21 6.145000E-02 5.930000E-05
|
||
|
|
S 21
|
||
|
|
1 4.465000E+06 1.000000E-07
|
||
|
|
2 6.685000E+05 9.000000E-07
|
||
|
|
3 1.522000E+05 4.900000E-06
|
||
|
|
4 4.330000E+04 2.030000E-05
|
||
|
|
5 1.441000E+04 7.090000E-05
|
||
|
|
6 5.394000E+03 2.172000E-04
|
||
|
|
7 2.212000E+03 6.013000E-04
|
||
|
|
8 9.681000E+02 1.559100E-03
|
||
|
|
9 4.412000E+02 3.844300E-03
|
||
|
|
10 2.071000E+02 8.779700E-03
|
||
|
|
11 9.980000E+01 1.803880E-02
|
||
|
|
12 4.924000E+01 3.152240E-02
|
||
|
|
13 2.474000E+01 4.169050E-02
|
||
|
|
14 1.247000E+01 2.009730E-02
|
||
|
|
15 5.795000E+00 -6.674840E-02
|
||
|
|
16 2.830000E+00 -1.819060E-01
|
||
|
|
17 1.407000E+00 -2.602950E-01
|
||
|
|
18 6.995000E-01 -5.442000E-02
|
||
|
|
19 3.083000E-01 4.298450E-01
|
||
|
|
20 1.385000E-01 5.787630E-01
|
||
|
|
21 6.145000E-02 1.897350E-01
|
||
|
|
S 1
|
||
|
|
1 1.407000E+00 1.000000E+00
|
||
|
|
S 1
|
||
|
|
1 6.995000E-01 1.000000E+00
|
||
|
|
S 1
|
||
|
|
1 3.083000E-01 1.000000E+00
|
||
|
|
S 1
|
||
|
|
1 1.385000E-01 1.000000E+00
|
||
|
|
S 1
|
||
|
|
1 6.145000E-02 1.000000E+00
|
||
|
|
S 1
|
||
|
|
1 0.02539 1.0000
|
||
|
|
P 14
|
||
|
|
1 3.572000E+03 5.990000E-05
|
||
|
|
2 8.460000E+02 5.296000E-04
|
||
|
|
3 2.748000E+02 2.995800E-03
|
||
|
|
4 1.050000E+02 1.263350E-02
|
||
|
|
5 4.435000E+01 4.190440E-02
|
||
|
|
6 2.008000E+01 1.102590E-01
|
||
|
|
7 9.530000E+00 2.188310E-01
|
||
|
|
8 4.634000E+00 3.178280E-01
|
||
|
|
9 2.280000E+00 3.194250E-01
|
||
|
|
10 1.116000E+00 1.706340E-01
|
||
|
|
11 4.991000E-01 2.683420E-02
|
||
|
|
12 2.254000E-01 -3.020000E-04
|
||
|
|
13 1.001000E-01 7.932000E-04
|
||
|
|
14 4.332000E-02 -1.187000E-04
|
||
|
|
P 14
|
||
|
|
1 3.572000E+03 -1.280000E-05
|
||
|
|
2 8.460000E+02 -1.126000E-04
|
||
|
|
3 2.748000E+02 -6.402000E-04
|
||
|
|
4 1.050000E+02 -2.702900E-03
|
||
|
|
5 4.435000E+01 -9.078900E-03
|
||
|
|
6 2.008000E+01 -2.423480E-02
|
||
|
|
7 9.530000E+00 -4.934600E-02
|
||
|
|
8 4.634000E+00 -7.258590E-02
|
||
|
|
9 2.280000E+00 -8.042580E-02
|
||
|
|
10 1.116000E+00 -2.760760E-02
|
||
|
|
11 4.991000E-01 1.701480E-01
|
||
|
|
12 2.254000E-01 4.111580E-01
|
||
|
|
13 1.001000E-01 4.250700E-01
|
||
|
|
14 4.332000E-02 1.447890E-01
|
||
|
|
P 1
|
||
|
|
1 1.116000E+00 1.000000E+00
|
||
|
|
P 1
|
||
|
|
1 4.991000E-01 1.000000E+00
|
||
|
|
P 1
|
||
|
|
1 2.254000E-01 1.000000E+00
|
||
|
|
P 1
|
||
|
|
1 1.001000E-01 1.000000E+00
|
||
|
|
P 1
|
||
|
|
1 4.332000E-02 1.000000E+00
|
||
|
|
P 1
|
||
|
|
1 0.01694 1.0000
|
||
|
|
D 1
|
||
|
|
1 3.238600E+00 1.000000E+00
|
||
|
|
D 1
|
||
|
|
1 1.376700E+00 1.000000E+00
|
||
|
|
D 1
|
||
|
|
1 5.853000E-01 1.000000E+00
|
||
|
|
D 1
|
||
|
|
1 2.488000E-01 1.000000E+00
|
||
|
|
D 1
|
||
|
|
1 1.058000E-01 1.000000E+00
|
||
|
|
D 1
|
||
|
|
1 0.04139 1.0000
|
||
|
|
F 1
|
||
|
|
1 1.351000E+00 1.000000E+00
|
||
|
|
F 1
|
||
|
|
1 6.600000E-01 1.000000E+00
|
||
|
|
F 1
|
||
|
|
1 3.225000E-01 1.000000E+00
|
||
|
|
F 1
|
||
|
|
1 1.575000E-01 1.000000E+00
|
||
|
|
F 1
|
||
|
|
1 0.06884 1.0000
|
||
|
|
G 1
|
||
|
|
1 8.528000E-01 1.000000E+00
|
||
|
|
G 1
|
||
|
|
1 4.631000E-01 1.000000E+00
|
||
|
|
G 1
|
||
|
|
1 2.515000E-01 1.000000E+00
|
||
|
|
G 1
|
||
|
|
1 0.11640 1.0000
|
||
|
|
H 1
|
||
|
|
1 8.557000E-01 1.000000E+00
|
||
|
|
H 1
|
||
|
|
1 4.231000E-01 1.000000E+00
|
||
|
|
H 1
|
||
|
|
1 0.23510 1.0000
|
||
|
|
I 1
|
||
|
|
1 6.946000E-01 1.0000000
|
||
|
|
I 1
|
||
|
|
1 0.42710 1.0000
|
||
|
|
|
||
|
|
PHOSPHORUS
|
||
|
|
S 21
|
||
|
|
1 5.384000E+06 1.600000E-06
|
||
|
|
2 8.062000E+05 1.280000E-05
|
||
|
|
3 1.836000E+05 6.720000E-05
|
||
|
|
4 5.225000E+04 2.797000E-04
|
||
|
|
5 1.739000E+04 9.767000E-04
|
||
|
|
6 6.523000E+03 2.968400E-03
|
||
|
|
7 2.687000E+03 8.124000E-03
|
||
|
|
8 1.178000E+03 2.092000E-02
|
||
|
|
9 5.362000E+02 5.055900E-02
|
||
|
|
10 2.515000E+02 1.104790E-01
|
||
|
|
11 1.213000E+02 2.069570E-01
|
||
|
|
12 5.988000E+01 3.047370E-01
|
||
|
|
13 3.005000E+01 2.929520E-01
|
||
|
|
14 1.512000E+01 1.355610E-01
|
||
|
|
15 7.010000E+00 1.732080E-02
|
||
|
|
16 3.441000E+00 -3.520000E-05
|
||
|
|
17 1.712000E+00 8.033000E-04
|
||
|
|
18 8.337000E-01 -2.438000E-04
|
||
|
|
19 3.912000E-01 9.870000E-05
|
||
|
|
20 1.777000E-01 -5.120000E-05
|
||
|
|
21 7.939000E-02 1.010000E-05
|
||
|
|
S 21
|
||
|
|
1 5.384000E+06 -4.000000E-07
|
||
|
|
2 8.062000E+05 -3.500000E-06
|
||
|
|
3 1.836000E+05 -1.830000E-05
|
||
|
|
4 5.225000E+04 -7.590000E-05
|
||
|
|
5 1.739000E+04 -2.657000E-04
|
||
|
|
6 6.523000E+03 -8.080000E-04
|
||
|
|
7 2.687000E+03 -2.227300E-03
|
||
|
|
8 1.178000E+03 -5.783300E-03
|
||
|
|
9 5.362000E+02 -1.434380E-02
|
||
|
|
10 2.515000E+02 -3.270610E-02
|
||
|
|
11 1.213000E+02 -6.737160E-02
|
||
|
|
12 5.988000E+01 -1.176470E-01
|
||
|
|
13 3.005000E+01 -1.572800E-01
|
||
|
|
14 1.512000E+01 -8.385440E-02
|
||
|
|
15 7.010000E+00 1.997180E-01
|
||
|
|
16 3.441000E+00 4.986050E-01
|
||
|
|
17 1.712000E+00 3.898150E-01
|
||
|
|
18 8.337000E-01 7.434100E-02
|
||
|
|
19 3.912000E-01 7.380000E-04
|
||
|
|
20 1.777000E-01 9.276000E-04
|
||
|
|
21 7.939000E-02 -1.700000E-06
|
||
|
|
S 21
|
||
|
|
1 5.384000E+06 1.000000E-07
|
||
|
|
2 8.062000E+05 1.000000E-06
|
||
|
|
3 1.836000E+05 5.000000E-06
|
||
|
|
4 5.225000E+04 2.090000E-05
|
||
|
|
5 1.739000E+04 7.300000E-05
|
||
|
|
6 6.523000E+03 2.221000E-04
|
||
|
|
7 2.687000E+03 6.122000E-04
|
||
|
|
8 1.178000E+03 1.591800E-03
|
||
|
|
9 5.362000E+02 3.953400E-03
|
||
|
|
10 2.515000E+02 9.057200E-03
|
||
|
|
11 1.213000E+02 1.879090E-02
|
||
|
|
12 5.988000E+01 3.338310E-02
|
||
|
|
13 3.005000E+01 4.594840E-02
|
||
|
|
14 1.512000E+01 2.552400E-02
|
||
|
|
15 7.010000E+00 -6.694960E-02
|
||
|
|
16 3.441000E+00 -2.036450E-01
|
||
|
|
17 1.712000E+00 -2.872280E-01
|
||
|
|
18 8.337000E-01 -3.382110E-02
|
||
|
|
19 3.912000E-01 4.544820E-01
|
||
|
|
20 1.777000E-01 5.687910E-01
|
||
|
|
21 7.939000E-02 1.785900E-01
|
||
|
|
S 1
|
||
|
|
1 1.712000E+00 1.000000E+00
|
||
|
|
S 1
|
||
|
|
1 8.337000E-01 1.000000E+00
|
||
|
|
S 1
|
||
|
|
1 3.912000E-01 1.000000E+00
|
||
|
|
S 1
|
||
|
|
1 1.777000E-01 1.000000E+00
|
||
|
|
S 1
|
||
|
|
1 7.939000E-02 1.000000E+00
|
||
|
|
S 1
|
||
|
|
1 0.03228 1.0000
|
||
|
|
P 14
|
||
|
|
1 4.552000E+03 5.200000E-05
|
||
|
|
2 1.078000E+03 4.604000E-04
|
||
|
|
3 3.501000E+02 2.620800E-03
|
||
|
|
4 1.338000E+02 1.118730E-02
|
||
|
|
5 5.652000E+01 3.782290E-02
|
||
|
|
6 2.558000E+01 1.021160E-01
|
||
|
|
7 1.214000E+01 2.103140E-01
|
||
|
|
8 5.902000E+00 3.173830E-01
|
||
|
|
9 2.910000E+00 3.271650E-01
|
||
|
|
10 1.435000E+00 1.776870E-01
|
||
|
|
11 6.570000E-01 2.935800E-02
|
||
|
|
12 3.005000E-01 -7.680000E-05
|
||
|
|
13 1.340000E-01 6.720000E-04
|
||
|
|
14 5.783000E-02 -1.168000E-04
|
||
|
|
P 14
|
||
|
|
1 4.552000E+03 -1.240000E-05
|
||
|
|
2 1.078000E+03 -1.094000E-04
|
||
|
|
3 3.501000E+02 -6.256000E-04
|
||
|
|
4 1.338000E+02 -2.673400E-03
|
||
|
|
5 5.652000E+01 -9.155200E-03
|
||
|
|
6 2.558000E+01 -2.509930E-02
|
||
|
|
7 1.214000E+01 -5.318100E-02
|
||
|
|
8 5.902000E+00 -8.158880E-02
|
||
|
|
9 2.910000E+00 -9.197250E-02
|
||
|
|
10 1.435000E+00 -2.926680E-02
|
||
|
|
11 6.570000E-01 1.879960E-01
|
||
|
|
12 3.005000E-01 4.271910E-01
|
||
|
|
13 1.340000E-01 4.101460E-01
|
||
|
|
14 5.783000E-02 1.264650E-01
|
||
|
|
P 1
|
||
|
|
1 1.435000E+00 1.000000E+00
|
||
|
|
P 1
|
||
|
|
1 6.570000E-01 1.000000E+00
|
||
|
|
P 1
|
||
|
|
1 3.005000E-01 1.000000E+00
|
||
|
|
P 1
|
||
|
|
1 1.340000E-01 1.000000E+00
|
||
|
|
P 1
|
||
|
|
1 5.783000E-02 1.000000E+00
|
||
|
|
P 1
|
||
|
|
1 0.02197 1.0000
|
||
|
|
D 1
|
||
|
|
1 4.300800E+00 1.000000E+00
|
||
|
|
D 1
|
||
|
|
1 1.834600E+00 1.000000E+00
|
||
|
|
D 1
|
||
|
|
1 7.826000E-01 1.000000E+00
|
||
|
|
D 1
|
||
|
|
1 3.339000E-01 1.000000E+00
|
||
|
|
D 1
|
||
|
|
1 1.424000E-01 1.000000E+00
|
||
|
|
D 1
|
||
|
|
1 0.05492 1.0000
|
||
|
|
F 1
|
||
|
|
1 1.816000E+00 1.000000E+00
|
||
|
|
F 1
|
||
|
|
1 8.806000E-01 1.000000E+00
|
||
|
|
F 1
|
||
|
|
1 4.270000E-01 1.000000E+00
|
||
|
|
F 1
|
||
|
|
1 2.070000E-01 1.000000E+00
|
||
|
|
F 1
|
||
|
|
1 0.08710 1.0000
|
||
|
|
G 1
|
||
|
|
1 1.061600E+00 1.000000E+00
|
||
|
|
G 1
|
||
|
|
1 5.791000E-01 1.000000E+00
|
||
|
|
G 1
|
||
|
|
1 3.159000E-01 1.000000E+00
|
||
|
|
G 1
|
||
|
|
1 0.14700 1.0000
|
||
|
|
H 1
|
||
|
|
1 1.085000E+00 1.000000E+00
|
||
|
|
H 1
|
||
|
|
1 5.277000E-01 1.000000E+00
|
||
|
|
H 1
|
||
|
|
1 0.28740 1.0000
|
||
|
|
I 1
|
||
|
|
1 8.890000E-01 1.0000000
|
||
|
|
I 1
|
||
|
|
1 0.51510 1.0000
|
||
|
|
|
||
|
|
SULFUR
|
||
|
|
S 21
|
||
|
|
1 6.297000E+06 1.600000E-06
|
||
|
|
2 9.431000E+05 1.240000E-05
|
||
|
|
3 2.149000E+05 6.490000E-05
|
||
|
|
4 6.125000E+04 2.693000E-04
|
||
|
|
5 2.045000E+04 9.347000E-04
|
||
|
|
6 7.719000E+03 2.808300E-03
|
||
|
|
7 3.198000E+03 7.674000E-03
|
||
|
|
8 1.402000E+03 1.988980E-02
|
||
|
|
9 6.372000E+02 4.825890E-02
|
||
|
|
10 2.989000E+02 1.057570E-01
|
||
|
|
11 1.443000E+02 2.002230E-01
|
||
|
|
12 7.121000E+01 3.007280E-01
|
||
|
|
13 3.573000E+01 2.986880E-01
|
||
|
|
14 1.797000E+01 1.463470E-01
|
||
|
|
15 8.341000E+00 2.011590E-02
|
||
|
|
16 4.112000E+00 -2.488000E-04
|
||
|
|
17 2.045000E+00 9.009000E-04
|
||
|
|
18 9.770000E-01 -3.178000E-04
|
||
|
|
19 4.766000E-01 1.309000E-04
|
||
|
|
20 2.185000E-01 -6.670000E-05
|
||
|
|
21 9.759000E-02 1.250000E-05
|
||
|
|
S 21
|
||
|
|
1 6.297000E+06 -4.000000E-07
|
||
|
|
2 9.431000E+05 -3.400000E-06
|
||
|
|
3 2.149000E+05 -1.790000E-05
|
||
|
|
4 6.125000E+04 -7.440000E-05
|
||
|
|
5 2.045000E+04 -2.587000E-04
|
||
|
|
6 7.719000E+03 -7.777000E-04
|
||
|
|
7 3.198000E+03 -2.139600E-03
|
||
|
|
8 1.402000E+03 -5.590600E-03
|
||
|
|
9 6.372000E+02 -1.390760E-02
|
||
|
|
10 2.989000E+02 -3.176890E-02
|
||
|
|
11 1.443000E+02 -6.593020E-02
|
||
|
|
12 7.121000E+01 -1.168320E-01
|
||
|
|
13 3.573000E+01 -1.597870E-01
|
||
|
|
14 1.797000E+01 -9.453220E-02
|
||
|
|
15 8.341000E+00 1.878280E-01
|
||
|
|
16 4.112000E+00 5.046830E-01
|
||
|
|
17 2.045000E+00 3.995450E-01
|
||
|
|
18 9.770000E-01 7.341170E-02
|
||
|
|
19 4.766000E-01 -1.062000E-04
|
||
|
|
20 2.185000E-01 1.406800E-03
|
||
|
|
21 9.759000E-02 -2.880000E-05
|
||
|
|
S 21
|
||
|
|
1 6.297000E+06 1.000000E-07
|
||
|
|
2 9.431000E+05 1.000000E-06
|
||
|
|
3 2.149000E+05 5.200000E-06
|
||
|
|
4 6.125000E+04 2.160000E-05
|
||
|
|
5 2.045000E+04 7.510000E-05
|
||
|
|
6 7.719000E+03 2.258000E-04
|
||
|
|
7 3.198000E+03 6.217000E-04
|
||
|
|
8 1.402000E+03 1.625100E-03
|
||
|
|
9 6.372000E+02 4.053500E-03
|
||
|
|
10 2.989000E+02 9.290200E-03
|
||
|
|
11 1.443000E+02 1.945610E-02
|
||
|
|
12 7.121000E+01 3.500400E-02
|
||
|
|
13 3.573000E+01 4.948970E-02
|
||
|
|
14 1.797000E+01 3.034430E-02
|
||
|
|
15 8.341000E+00 -6.636610E-02
|
||
|
|
16 4.112000E+00 -2.231540E-01
|
||
|
|
17 2.045000E+00 -3.096090E-01
|
||
|
|
18 9.770000E-01 -1.121920E-02
|
||
|
|
19 4.766000E-01 4.810330E-01
|
||
|
|
20 2.185000E-01 5.554780E-01
|
||
|
|
21 9.759000E-02 1.635420E-01
|
||
|
|
S 1
|
||
|
|
1 2.045000E+00 1.000000E+00
|
||
|
|
S 1
|
||
|
|
1 9.770000E-01 1.000000E+00
|
||
|
|
S 1
|
||
|
|
1 4.766000E-01 1.000000E+00
|
||
|
|
S 1
|
||
|
|
1 2.185000E-01 1.000000E+00
|
||
|
|
S 1
|
||
|
|
1 9.759000E-02 1.000000E+00
|
||
|
|
S 1
|
||
|
|
1 0.03893 1.0000
|
||
|
|
P 14
|
||
|
|
1 5.266000E+03 5.230000E-05
|
||
|
|
2 1.247000E+03 4.635000E-04
|
||
|
|
3 4.050000E+02 2.641000E-03
|
||
|
|
4 1.548000E+02 1.131690E-02
|
||
|
|
5 6.538000E+01 3.847040E-02
|
||
|
|
6 2.959000E+01 1.043390E-01
|
||
|
|
7 1.404000E+01 2.156840E-01
|
||
|
|
8 6.824000E+00 3.252600E-01
|
||
|
|
9 3.369000E+00 3.261780E-01
|
||
|
|
10 1.666000E+00 1.631460E-01
|
||
|
|
11 7.681000E-01 2.389820E-02
|
||
|
|
12 3.504000E-01 4.738000E-04
|
||
|
|
13 1.556000E-01 7.352000E-04
|
||
|
|
14 6.681000E-02 2.240000E-05
|
||
|
|
P 14
|
||
|
|
1 5.266000E+03 -1.330000E-05
|
||
|
|
2 1.247000E+03 -1.179000E-04
|
||
|
|
3 4.050000E+02 -6.759000E-04
|
||
|
|
4 1.548000E+02 -2.897300E-03
|
||
|
|
5 6.538000E+01 -9.998000E-03
|
||
|
|
6 2.959000E+01 -2.754160E-02
|
||
|
|
7 1.404000E+01 -5.879430E-02
|
||
|
|
8 6.824000E+00 -9.037610E-02
|
||
|
|
9 3.369000E+00 -9.998910E-02
|
||
|
|
10 1.666000E+00 -1.097980E-02
|
||
|
|
11 7.681000E-01 2.327320E-01
|
||
|
|
12 3.504000E-01 4.312490E-01
|
||
|
|
13 1.556000E-01 3.751860E-01
|
||
|
|
14 6.681000E-02 1.137290E-01
|
||
|
|
P 1
|
||
|
|
1 1.666000E+00 1.000000E+00
|
||
|
|
P 1
|
||
|
|
1 7.681000E-01 1.000000E+00
|
||
|
|
P 1
|
||
|
|
1 3.504000E-01 1.000000E+00
|
||
|
|
P 1
|
||
|
|
1 1.556000E-01 1.000000E+00
|
||
|
|
P 1
|
||
|
|
1 6.681000E-02 1.000000E+00
|
||
|
|
P 1
|
||
|
|
1 0.02648 1.0000
|
||
|
|
D 1
|
||
|
|
1 5.075500E+00 1.000000E+00
|
||
|
|
D 1
|
||
|
|
1 2.183300E+00 1.000000E+00
|
||
|
|
D 1
|
||
|
|
1 9.392000E-01 1.000000E+00
|
||
|
|
D 1
|
||
|
|
1 4.040000E-01 1.000000E+00
|
||
|
|
D 1
|
||
|
|
1 1.738000E-01 1.000000E+00
|
||
|
|
D 1
|
||
|
|
1 0.06986 1.0000
|
||
|
|
F 1
|
||
|
|
1 2.212000E+00 1.000000E+00
|
||
|
|
F 1
|
||
|
|
1 1.063000E+00 1.000000E+00
|
||
|
|
F 1
|
||
|
|
1 5.100000E-01 1.000000E+00
|
||
|
|
F 1
|
||
|
|
1 2.450000E-01 1.000000E+00
|
||
|
|
F 1
|
||
|
|
1 0.1100 1.0000
|
||
|
|
G 1
|
||
|
|
1 1.347300E+00 1.000000E+00
|
||
|
|
G 1
|
||
|
|
1 7.009000E-01 1.000000E+00
|
||
|
|
G 1
|
||
|
|
1 3.647000E-01 1.000000E+00
|
||
|
|
G 1
|
||
|
|
1 0.1799 1.0000
|
||
|
|
H 1
|
||
|
|
1 1.286100E+00 1.000000E+00
|
||
|
|
H 1
|
||
|
|
1 6.115000E-01 1.000000E+00
|
||
|
|
H 1
|
||
|
|
1 0.3465 1.0000
|
||
|
|
I 1
|
||
|
|
1 1.040900E+00 1.0000000
|
||
|
|
I 1
|
||
|
|
1 0.6222 1.0000
|
||
|
|
|
||
|
|
CHLORINE
|
||
|
|
S 21
|
||
|
|
1 7.733000E+06 1.434740E-06
|
||
|
|
2 1.158000E+06 1.114860E-05
|
||
|
|
3 2.637000E+05 5.858650E-05
|
||
|
|
4 7.501000E+04 2.445180E-04
|
||
|
|
5 2.489000E+04 8.582870E-04
|
||
|
|
6 9.318000E+03 2.610190E-03
|
||
|
|
7 3.840000E+03 7.137840E-03
|
||
|
|
8 1.684000E+03 1.845640E-02
|
||
|
|
9 7.663000E+02 4.489440E-02
|
||
|
|
10 3.595000E+02 9.938220E-02
|
||
|
|
11 1.734000E+02 1.907820E-01
|
||
|
|
12 8.561000E+01 2.935650E-01
|
||
|
|
13 4.293000E+01 3.064770E-01
|
||
|
|
14 2.155000E+01 1.622090E-01
|
||
|
|
15 1.005000E+01 2.493830E-02
|
||
|
|
16 4.978000E+00 -5.131420E-04
|
||
|
|
17 2.478000E+00 1.102410E-03
|
||
|
|
18 1.180000E+00 -4.316530E-04
|
||
|
|
19 5.828000E-01 1.786810E-04
|
||
|
|
20 2.668000E-01 -8.895250E-05
|
||
|
|
21 1.183000E-01 1.661520E-05
|
||
|
|
S 21
|
||
|
|
1 7.733000E+06 -4.022270E-07
|
||
|
|
2 1.158000E+06 -3.124480E-06
|
||
|
|
3 2.637000E+05 -1.642900E-05
|
||
|
|
4 7.501000E+04 -6.854210E-05
|
||
|
|
5 2.489000E+04 -2.410010E-04
|
||
|
|
6 9.318000E+03 -7.335380E-04
|
||
|
|
7 3.840000E+03 -2.018300E-03
|
||
|
|
8 1.684000E+03 -5.261070E-03
|
||
|
|
9 7.663000E+02 -1.309860E-02
|
||
|
|
10 3.595000E+02 -3.017940E-02
|
||
|
|
11 1.734000E+02 -6.318880E-02
|
||
|
|
12 8.561000E+01 -1.138590E-01
|
||
|
|
13 4.293000E+01 -1.612510E-01
|
||
|
|
14 2.155000E+01 -1.092340E-01
|
||
|
|
15 1.005000E+01 1.629990E-01
|
||
|
|
16 4.978000E+00 5.014130E-01
|
||
|
|
17 2.478000E+00 4.206070E-01
|
||
|
|
18 1.180000E+00 8.192930E-02
|
||
|
|
19 5.828000E-01 -3.297220E-05
|
||
|
|
20 2.668000E-01 1.790230E-03
|
||
|
|
21 1.183000E-01 -3.828630E-05
|
||
|
|
S 21
|
||
|
|
1 7.733000E+06 1.216960E-07
|
||
|
|
2 1.158000E+06 9.451410E-07
|
||
|
|
3 2.637000E+05 4.971190E-06
|
||
|
|
4 7.501000E+04 2.073230E-05
|
||
|
|
5 2.489000E+04 7.294020E-05
|
||
|
|
6 9.318000E+03 2.218990E-04
|
||
|
|
7 3.840000E+03 6.113550E-04
|
||
|
|
8 1.684000E+03 1.593370E-03
|
||
|
|
9 7.663000E+02 3.980010E-03
|
||
|
|
10 3.595000E+02 9.193750E-03
|
||
|
|
11 1.734000E+02 1.943990E-02
|
||
|
|
12 8.561000E+01 3.551870E-02
|
||
|
|
13 4.293000E+01 5.206740E-02
|
||
|
|
14 2.155000E+01 3.656440E-02
|
||
|
|
15 1.005000E+01 -5.975000E-02
|
||
|
|
16 4.978000E+00 -2.316410E-01
|
||
|
|
17 2.478000E+00 -3.298460E-01
|
||
|
|
18 1.180000E+00 -1.243200E-02
|
||
|
|
19 5.828000E-01 4.918290E-01
|
||
|
|
20 2.668000E-01 5.569730E-01
|
||
|
|
21 1.183000E-01 1.584970E-01
|
||
|
|
S 1
|
||
|
|
1 2.478000E+00 1.000000E+00
|
||
|
|
S 1
|
||
|
|
1 1.180000E+00 1.000000E+00
|
||
|
|
S 1
|
||
|
|
1 5.828000E-01 1.000000E+00
|
||
|
|
S 1
|
||
|
|
1 2.668000E-01 1.000000E+00
|
||
|
|
S 1
|
||
|
|
1 1.183000E-01 1.000000E+00
|
||
|
|
S 1
|
||
|
|
1 0.04625 1.0000
|
||
|
|
P 14
|
||
|
|
1 6.091000E+03 5.161940E-05
|
||
|
|
2 1.442000E+03 4.584680E-04
|
||
|
|
3 4.683000E+02 2.615090E-03
|
||
|
|
4 1.790000E+02 1.125540E-02
|
||
|
|
5 7.561000E+01 3.845770E-02
|
||
|
|
6 3.422000E+01 1.050810E-01
|
||
|
|
7 1.623000E+01 2.186030E-01
|
||
|
|
8 7.890000E+00 3.308740E-01
|
||
|
|
9 3.898000E+00 3.258790E-01
|
||
|
|
10 1.933000E+00 1.531590E-01
|
||
|
|
11 9.057000E-01 2.109100E-02
|
||
|
|
12 4.140000E-01 1.067950E-03
|
||
|
|
13 1.836000E-01 8.231280E-04
|
||
|
|
14 7.859000E-02 1.262440E-04
|
||
|
|
P 14
|
||
|
|
1 6.091000E+03 -1.392590E-05
|
||
|
|
2 1.442000E+03 -1.233240E-04
|
||
|
|
3 4.683000E+02 -7.075510E-04
|
||
|
|
4 1.790000E+02 -3.049390E-03
|
||
|
|
5 7.561000E+01 -1.057520E-02
|
||
|
|
6 3.422000E+01 -2.940940E-02
|
||
|
|
7 1.623000E+01 -6.322960E-02
|
||
|
|
8 7.890000E+00 -9.818700E-02
|
||
|
|
9 3.898000E+00 -1.058700E-01
|
||
|
|
10 1.933000E+00 3.228870E-03
|
||
|
|
11 9.057000E-01 2.583060E-01
|
||
|
|
12 4.140000E-01 4.333260E-01
|
||
|
|
13 1.836000E-01 3.545080E-01
|
||
|
|
14 7.859000E-02 1.031890E-01
|
||
|
|
P 1
|
||
|
|
1 1.933000E+00 1.000000E+00
|
||
|
|
P 1
|
||
|
|
1 9.057000E-01 1.000000E+00
|
||
|
|
P 1
|
||
|
|
1 4.140000E-01 1.000000E+00
|
||
|
|
P 1
|
||
|
|
1 1.836000E-01 1.000000E+00
|
||
|
|
P 1
|
||
|
|
1 7.859000E-02 1.000000E+00
|
||
|
|
P 1
|
||
|
|
1 0.03163 1.0000
|
||
|
|
D 1
|
||
|
|
1 6.242800E+00 1.000000E+00
|
||
|
|
D 1
|
||
|
|
1 2.690600E+00 1.000000E+00
|
||
|
|
D 1
|
||
|
|
1 1.159600E+00 1.000000E+00
|
||
|
|
D 1
|
||
|
|
1 4.998000E-01 1.000000E+00
|
||
|
|
D 1
|
||
|
|
1 2.154000E-01 1.000000E+00
|
||
|
|
D 1
|
||
|
|
1 0.08885 1.0000
|
||
|
|
F 1
|
||
|
|
1 2.532700E+00 1.000000E+00
|
||
|
|
F 1
|
||
|
|
1 1.240600E+00 1.000000E+00
|
||
|
|
F 1
|
||
|
|
1 6.077000E-01 1.000000E+00
|
||
|
|
F 1
|
||
|
|
1 2.977000E-01 1.000000E+00
|
||
|
|
F 1
|
||
|
|
1 0.14650 1.0000
|
||
|
|
G 1
|
||
|
|
1 1.538800E+00 1.000000E+00
|
||
|
|
G 1
|
||
|
|
1 8.050000E-01 1.000000E+00
|
||
|
|
G 1
|
||
|
|
1 4.212000E-01 1.000000E+00
|
||
|
|
G 1
|
||
|
|
1 0.21770 1.0000
|
||
|
|
H 1
|
||
|
|
1 1.561300E+00 1.000000E+00
|
||
|
|
H 1
|
||
|
|
1 7.397000E-01 1.000000E+00
|
||
|
|
H 1
|
||
|
|
1 0.43650 1.0000
|
||
|
|
I 1
|
||
|
|
1 1.257200E+00 1.0000000
|
||
|
|
I 1
|
||
|
|
1 0.8074 1.0000
|
||
|
|
|
||
|
|
ARGON
|
||
|
|
S 21
|
||
|
|
1 9.149000E+06 1.300000E-06
|
||
|
|
2 1.370000E+06 1.040000E-05
|
||
|
|
3 3.119000E+05 5.490000E-05
|
||
|
|
4 8.865000E+04 2.296000E-04
|
||
|
|
5 2.933000E+04 8.103000E-04
|
||
|
|
6 1.093000E+04 2.485300E-03
|
||
|
|
7 4.480000E+03 6.836900E-03
|
||
|
|
8 1.962000E+03 1.761990E-02
|
||
|
|
9 8.941000E+02 4.287520E-02
|
||
|
|
10 4.196000E+02 9.548530E-02
|
||
|
|
11 2.023000E+02 1.850640E-01
|
||
|
|
12 9.984000E+01 2.890420E-01
|
||
|
|
13 5.007000E+01 3.101660E-01
|
||
|
|
14 2.514000E+01 1.721830E-01
|
||
|
|
15 1.181000E+01 2.852270E-02
|
||
|
|
16 5.882000E+00 -5.757000E-04
|
||
|
|
17 2.939000E+00 1.181200E-03
|
||
|
|
18 1.405000E+00 -4.805000E-04
|
||
|
|
19 6.963000E-01 1.888000E-04
|
||
|
|
20 3.188000E-01 -9.730000E-05
|
||
|
|
21 1.410000E-01 1.740000E-05
|
||
|
|
S 21
|
||
|
|
1 9.149000E+06 -4.000000E-07
|
||
|
|
2 1.370000E+06 -3.000000E-06
|
||
|
|
3 3.119000E+05 -1.560000E-05
|
||
|
|
4 8.865000E+04 -6.520000E-05
|
||
|
|
5 2.933000E+04 -2.304000E-04
|
||
|
|
6 1.093000E+04 -7.075000E-04
|
||
|
|
7 4.480000E+03 -1.957300E-03
|
||
|
|
8 1.962000E+03 -5.085600E-03
|
||
|
|
9 8.941000E+02 -1.265280E-02
|
||
|
|
10 4.196000E+02 -2.930650E-02
|
||
|
|
11 2.023000E+02 -6.177120E-02
|
||
|
|
12 9.984000E+01 -1.125410E-01
|
||
|
|
13 5.007000E+01 -1.622930E-01
|
||
|
|
14 2.514000E+01 -1.184120E-01
|
||
|
|
15 1.181000E+01 1.461480E-01
|
||
|
|
16 5.882000E+00 4.977520E-01
|
||
|
|
17 2.939000E+00 4.342400E-01
|
||
|
|
18 1.405000E+00 8.907450E-02
|
||
|
|
19 6.963000E-01 5.381000E-04
|
||
|
|
20 3.188000E-01 2.040400E-03
|
||
|
|
21 1.410000E-01 -2.800000E-05
|
||
|
|
S 21
|
||
|
|
1 9.149000E+06 1.000000E-07
|
||
|
|
2 1.370000E+06 9.000000E-07
|
||
|
|
3 3.119000E+05 4.900000E-06
|
||
|
|
4 8.865000E+04 2.040000E-05
|
||
|
|
5 2.933000E+04 7.200000E-05
|
||
|
|
6 1.093000E+04 2.210000E-04
|
||
|
|
7 4.480000E+03 6.125000E-04
|
||
|
|
8 1.962000E+03 1.590800E-03
|
||
|
|
9 8.941000E+02 3.972200E-03
|
||
|
|
10 4.196000E+02 9.220400E-03
|
||
|
|
11 2.023000E+02 1.963670E-02
|
||
|
|
12 9.984000E+01 3.625700E-02
|
||
|
|
13 5.007000E+01 5.417250E-02
|
||
|
|
14 2.514000E+01 4.099960E-02
|
||
|
|
15 1.181000E+01 -5.517440E-02
|
||
|
|
16 5.882000E+00 -2.387540E-01
|
||
|
|
17 2.939000E+00 -3.452640E-01
|
||
|
|
18 1.405000E+00 -1.223840E-02
|
||
|
|
19 6.963000E-01 4.997370E-01
|
||
|
|
20 3.188000E-01 5.568890E-01
|
||
|
|
21 1.410000E-01 1.555420E-01
|
||
|
|
S 1
|
||
|
|
1 2.939000E+00 1.000000E+00
|
||
|
|
S 1
|
||
|
|
1 1.405000E+00 1.000000E+00
|
||
|
|
S 1
|
||
|
|
1 6.963000E-01 1.000000E+00
|
||
|
|
S 1
|
||
|
|
1 3.188000E-01 1.000000E+00
|
||
|
|
S 1
|
||
|
|
1 1.410000E-01 1.000000E+00
|
||
|
|
S 1
|
||
|
|
1 0.05357 1.0000
|
||
|
|
P 14
|
||
|
|
1 7.050000E+03 5.020000E-05
|
||
|
|
2 1.669000E+03 4.454000E-04
|
||
|
|
3 5.421000E+02 2.548000E-03
|
||
|
|
4 2.071000E+02 1.101550E-02
|
||
|
|
5 8.752000E+01 3.784900E-02
|
||
|
|
6 3.961000E+01 1.043550E-01
|
||
|
|
7 1.878000E+01 2.193350E-01
|
||
|
|
8 9.130000E+00 3.346150E-01
|
||
|
|
9 4.516000E+00 3.267710E-01
|
||
|
|
10 2.245000E+00 1.481530E-01
|
||
|
|
11 1.065000E+00 1.925860E-02
|
||
|
|
12 4.885000E-01 5.519000E-04
|
||
|
|
13 2.166000E-01 1.769000E-04
|
||
|
|
14 9.255000E-02 -1.690000E-05
|
||
|
|
P 14
|
||
|
|
1 7.050000E+03 -1.400000E-05
|
||
|
|
2 1.669000E+03 -1.243000E-04
|
||
|
|
3 5.421000E+02 -7.147000E-04
|
||
|
|
4 2.071000E+02 -3.096800E-03
|
||
|
|
5 8.752000E+01 -1.079610E-02
|
||
|
|
6 3.961000E+01 -3.035360E-02
|
||
|
|
7 1.878000E+01 -6.597850E-02
|
||
|
|
8 9.130000E+00 -1.038770E-01
|
||
|
|
9 4.516000E+00 -1.099560E-01
|
||
|
|
10 2.245000E+00 1.332480E-02
|
||
|
|
11 1.065000E+00 2.742860E-01
|
||
|
|
12 4.885000E-01 4.349360E-01
|
||
|
|
13 2.166000E-01 3.409770E-01
|
||
|
|
14 9.255000E-02 9.506840E-02
|
||
|
|
P 1
|
||
|
|
1 2.245000E+00 1.000000E+00
|
||
|
|
P 1
|
||
|
|
1 1.065000E+00 1.000000E+00
|
||
|
|
P 1
|
||
|
|
1 4.885000E-01 1.000000E+00
|
||
|
|
P 1
|
||
|
|
1 2.166000E-01 1.000000E+00
|
||
|
|
P 1
|
||
|
|
1 9.255000E-02 1.000000E+00
|
||
|
|
P 1
|
||
|
|
1 0.03678 1.0000
|
||
|
|
D 1
|
||
|
|
1 7.632700E+00 1.000000E+00
|
||
|
|
D 1
|
||
|
|
1 3.287600E+00 1.000000E+00
|
||
|
|
D 1
|
||
|
|
1 1.416000E+00 1.000000E+00
|
||
|
|
D 1
|
||
|
|
1 6.099000E-01 1.000000E+00
|
||
|
|
D 1
|
||
|
|
1 2.627000E-01 1.000000E+00
|
||
|
|
D 1
|
||
|
|
1 0.10780 1.0000
|
||
|
|
F 1
|
||
|
|
1 3.058200E+00 1.000000E+00
|
||
|
|
F 1
|
||
|
|
1 1.529200E+00 1.000000E+00
|
||
|
|
F 1
|
||
|
|
1 7.647000E-01 1.000000E+00
|
||
|
|
F 1
|
||
|
|
1 3.824000E-01 1.000000E+00
|
||
|
|
F 1
|
||
|
|
1 0.18300 1.0000
|
||
|
|
G 1
|
||
|
|
1 1.845000E+00 1.000000E+00
|
||
|
|
G 1
|
||
|
|
1 9.657000E-01 1.000000E+00
|
||
|
|
G 1
|
||
|
|
1 5.055000E-01 1.000000E+00
|
||
|
|
G 1
|
||
|
|
1 0.25550 1.0000
|
||
|
|
H 1
|
||
|
|
1 1.874300E+00 1.000000E+00
|
||
|
|
H 1
|
||
|
|
1 8.871000E-01 1.000000E+00
|
||
|
|
H 1
|
||
|
|
1 0.52650 1.0000
|
||
|
|
I 1
|
||
|
|
1 1.506600E+00 1.0000000
|
||
|
|
I 1
|
||
|
|
1 0.99260 1.0000
|
||
|
|
$END
|