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	hartrees
Energy at 0K	-435.383101
Energy at 298.15K	-435.384498
HF Energy	-435.383101
Nuclear repulsion energy	44.809411

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3105	2948	21.98
2	A₁	1555	1477	4.47
3	A₁	1122	1066	16.73
4	B₁	1059	1006	69.83
5	B₂	3188	3028	8.00
6	B₂	1048	995	7.99

Atom	y (Å)	z (Å)
S1	0.000	0.585
C2	0.000	-1.024
H3	0.921	-1.608
H4	-0.921	-1.608

	S1	C2	H3	H4
S1		1.6088	2.3781	2.3781
C2	1.6088		1.0904	1.0904
H3	2.3781	1.0904		1.8420
H4	2.3781	1.0904	1.8420

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
S1	C2	H3	122.366		S1	C2	H4	122.366
H3	C2	H4	115.268

All results from a given calculation for H₂CS (Thioformaldehyde)

using model chemistry: mPW1PW91/3-21G*

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	0.044
2	C	-0.543
3	H	0.250
4	H	0.250

	x	y	z	Total
	0.000	0.000	-1.792	1.792
CHELPG
AIM
ESP

<r²>	30.463
(<r²>)^1/2	5.519

All results from a given calculation for H2CS (Thioformaldehyde)

using model chemistry: mPW1PW91/3-21G*

States and conformations

All results from a given calculation for H₂CS (Thioformaldehyde)