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	hartrees
Energy at 0K	-437.444711
Energy at 298.15K	-437.446096
HF Energy	-437.444711
Nuclear repulsion energy	44.880374

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3066	2959	31.62
2	A₁	1487	1435	3.27
3	A₁	1103	1064	13.91
4	B₁	1028	992	41.35
5	B₂	3149	3039	4.05
6	B₂	1000	966	2.32

Atom	y (Å)	z (Å)
S1	0.000	0.584
C2	0.000	-1.022
H3	0.922	-1.602
H4	-0.922	-1.602

	S1	C2	H3	H4
S1		1.6058	2.3719	2.3719
C2	1.6058		1.0892	1.0892
H3	2.3719	1.0892		1.8445
H4	2.3719	1.0892	1.8445

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
S1	C2	H3	122.141		S1	C2	H4	122.141
H3	C2	H4	115.718

All results from a given calculation for H₂CS (Thioformaldehyde)

using model chemistry: B3PW91/aug-cc-pVTZ

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	-0.065
2	C	-0.628
3	H	0.346
4	H	0.346

	x	y	z	Total
	0.000	0.000	-1.772	1.772
CHELPG
AIM
ESP

All results from a given calculation for H2CS (Thioformaldehyde)

using model chemistry: B3PW91/aug-cc-pVTZ

States and conformations

All results from a given calculation for H₂CS (Thioformaldehyde)