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	hartrees
Energy at 0K	-437.278809
Energy at 298.15K	-437.280195
HF Energy	-437.278809
Nuclear repulsion energy	44.632194

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3088	2970	28.77
2	A₁	1477	1421	3.33
3	A₁	1113	1070	14.16
4	B₁	1036	996	42.81
5	B₂	3187	3065	3.53
6	B₂	998	960	2.43

Atom	y (Å)	z (Å)
S1	0.000	0.587
C2	0.000	-1.028
H3	0.932	-1.608
H4	-0.932	-1.608

	S1	C2	H3	H4
S1		1.6149	2.3839	2.3839
C2	1.6149		1.0972	1.0972
H3	2.3839	1.0972		1.8634
H4	2.3839	1.0972	1.8634

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
S1	C2	H3	121.877		S1	C2	H4	121.877
H3	C2	H4	116.246

All results from a given calculation for H₂CS (Thioformaldehyde)

using model chemistry: PBE1PBE/aug-cc-pVDZ

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	0.112
2	C	0.212
3	H	-0.162
4	H	-0.162

	x	y	z	Total
	0.000	0.000	-1.842	1.842
CHELPG
AIM
ESP

<r²>	30.746
(<r²>)^1/2	5.545

All results from a given calculation for H2CS (Thioformaldehyde)

using model chemistry: PBE1PBE/aug-cc-pVDZ

States and conformations

All results from a given calculation for H₂CS (Thioformaldehyde)