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	hartrees
Energy at 0K	-436.230345
Energy at 298.15K
HF Energy	-436.230345
Nuclear repulsion energy	44.974540

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2977	2977	28.09
2	A₁	1417	1417	2.45
3	A₁	1097	1097	10.68
4	B₁	979	979	43.42
5	B₂	3060	3060	2.21
6	B₂	964	964	3.37

Atom	y (Å)	z (Å)
S1	0.000	0.582
C2	0.000	-1.017
H3	0.931	-1.601
H4	-0.931	-1.601

	S1	C2	H3	H4
S1		1.5988	2.3725	2.3725
C2	1.5988		1.0989	1.0989
H3	2.3725	1.0989		1.8627
H4	2.3725	1.0989	1.8627

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
S1	C2	H3	122.057		S1	C2	H4	122.057
H3	C2	H4	115.887

All results from a given calculation for H₂CS (Thioformaldehyde)

using model chemistry: LSDA/aug-cc-pV(T+d)Z

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	0.007
2	C	-0.623
3	H	0.308
4	H	0.308

	x	y	z	Total
	0.000	0.000	-1.638	1.638
CHELPG
AIM
ESP

<r²>	30.500
(<r²>)^1/2	5.523

All results from a given calculation for H2CS (Thioformaldehyde)

using model chemistry: LSDA/aug-cc-pV(T+d)Z

States and conformations

All results from a given calculation for H₂CS (Thioformaldehyde)