69 lines
2.1 KiB
Plaintext
69 lines
2.1 KiB
Plaintext
|
Be -0.0226034950 -0.0226034950
|
||
|
|
Cl -0.2341230707 -0.0173300362
|
||
|
|
C -0.0256079522 -0.0038538522
|
||
|
|
F -0.0395812282 -0.0191105456
|
||
|
|
H -0.0000000000 -0.0000000000
|
||
|
|
Li -0.0231626228 -0.0231626228
|
||
|
|
Mg -0.2264253254 -0.1856126473
|
||
|
|
Na -0.2331713838 -0.1919151748
|
||
|
|
N -0.0273911306 -0.0064716850
|
||
|
|
O -0.0334892673 -0.0125171033
|
||
|
|
P -0.2234275884 -0.0051410935
|
||
|
|
Si -0.2242036412 -0.0030920144
|
||
|
|
S -0.2284186759 -0.0108513269
|
||
|
|
BeH -0.0224900019 -0.0224900019
|
||
|
|
C2H2 -0.0553072746 -0.0137639356
|
||
|
|
C2H4 -0.0554250525 -0.0143617096
|
||
|
|
C2H6 -0.0556973191 -0.0152403286
|
||
|
|
CH -0.0266095052 -0.0052982847
|
||
|
|
CH2_1A1 -0.0273506173 -0.0064476154
|
||
|
|
CH2_3B1 -0.0263060521 -0.0054322983
|
||
|
|
CH3 -0.0273519911 -0.0068686778
|
||
|
|
CH3Cl -0.2626543069 -0.0262658191
|
||
|
|
CH4 -0.0279868497 -0.0078736192
|
||
|
|
CN -0.0576936373 -0.0157170722
|
||
|
|
CO -0.0630029244 -0.0212213553
|
||
|
|
CO2 -0.0991628514 -0.0372876322
|
||
|
|
CS -0.2571902172 -0.0190279402
|
||
|
|
Cl2 -0.4698487637 -0.0371925352
|
||
|
|
ClF -0.2754060390 -0.0388641555
|
||
|
|
ClO -0.2698072993 -0.0328873819
|
||
|
|
F2 -0.0808598710 -0.0401906263
|
||
|
|
H2CO -0.0635697811 -0.0224471922
|
||
|
|
H2O -0.0364858227 -0.0160675916
|
||
|
|
H2O2 -0.0721186696 -0.0310657487
|
||
|
|
H2S -0.2293728691 -0.0131299463
|
||
|
|
H3COH -0.0641087935 -0.0234083920
|
||
|
|
CH3SH -0.2572885998 -0.0208586533
|
||
|
|
HCN -0.0585180297 -0.0169727834
|
||
|
|
HCO -0.0629753162 -0.0214884420
|
||
|
|
HCl -0.2345852938 -0.0184651797
|
||
|
|
HF -0.0412558934 -0.0210037388
|
||
|
|
HOCl -0.2708148344 -0.0340889779
|
||
|
|
Li2 -0.0446972824 -0.0446972824
|
||
|
|
LiF -0.0649189145 -0.0445551110
|
||
|
|
LiH -0.0231480990 -0.0231480990
|
||
|
|
N2 -0.0614470691 -0.0199485317
|
||
|
|
N2H4 -0.0627860072 -0.0222160809
|
||
|
|
NH -0.0291669212 -0.0083403624
|
||
|
|
NH2 -0.0305366938 -0.0100231554
|
||
|
|
NH3 -0.0315479437 -0.0113845095
|
||
|
|
NO -0.0657633345 -0.0242928741
|
||
|
|
Na2 -0.4598447837 -0.3779595981
|
||
|
|
NaCl -0.4675955584 -0.2101734902
|
||
|
|
O2 -0.0698591368 -0.0283863947
|
||
|
|
OH -0.0352276617 -0.0145259529
|
||
|
|
P2 -0.4518257024 -0.0170555308
|
||
|
|
PH2 -0.2246236901 -0.0077971807
|
||
|
|
PH3 -0.2248048501 -0.0086965341
|
||
|
|
S2 -0.4590981218 -0.0254211398
|
||
|
|
SO -0.2645103409 -0.0271060187
|
||
|
|
SO2 -0.3014393007 -0.0445448605
|
||
|
|
Si2 -0.4497544981 -0.0088170087
|
||
|
|
Si2H6 -0.4463545366 -0.0121795688
|
||
|
|
SiH2_1A1 NaN NaN
|
||
|
|
SiH2_3B1 NaN NaN
|
||
|
|
SiH3 -0.2228388010 -0.0051119460
|
||
|
|
SiH4 -0.2225532924 -0.0060466993
|
||
|
|
SiO -0.2612306201 -0.0208146830
|