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	hartrees
Energy at 0K	-432.557870
Energy at 298.15K	-432.559229
HF Energy	-432.557870
Nuclear repulsion energy	44.588165

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3254	2904	0.10
2	A₁	1689	1507	3.63
3	A₁	1207	1077	6.01
4	B₁	1024	914	20.73
5	B₂	3382	3018	15.98
6	B₂	1104	986	0.20

Atom	y (Å)	z (Å)
S1	0.000	0.588
C2	0.000	-1.022
H3	0.919	-1.642
H4	-0.919	-1.642

	S1	C2	H3	H4
S1		1.6101	2.4121	2.4121
C2	1.6101		1.1086	1.1086
H3	2.4121	1.1086		1.8378
H4	2.4121	1.1086	1.8378

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
S1	C2	H3	124.013		S1	C2	H4	124.013
H3	C2	H4	111.974

All results from a given calculation for H₂CS (Thioformaldehyde)

using model chemistry: B3LYP/STO-3G

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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Number	Element	Mulliken
1	S	0.121
2	C	-0.259
3	H	0.069
4	H	0.069

	x	y	z	Total
	0.000	0.000	-0.641	0.641
CHELPG
AIM
ESP

<r²>	29.371
(<r²>)^1/2	5.419

All results from a given calculation for H2CS (Thioformaldehyde)

using model chemistry: B3LYP/STO-3G

States and conformations

All results from a given calculation for H₂CS (Thioformaldehyde)