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	hartrees
Energy at 0K	-437.517108
Energy at 298.15K
HF Energy	-437.517108
Nuclear repulsion energy	44.854607

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3055	3055	35.64
2	A₁	1501	1501	4.57
3	A₁	1093	1093	14.27
4	B₁	1033	1033	40.15
5	B₂	3134	3134	6.02
6	B₂	1001	1001	2.10

Atom	y (Å)	z (Å)
S1	0.000	0.584
C2	0.000	-1.023
H3	0.922	-1.603
H4	-0.922	-1.603

	S1	C2	H3	H4
S1		1.6073	2.3739	2.3739
C2	1.6073		1.0895	1.0895
H3	2.3739	1.0895		1.8444
H4	2.3739	1.0895	1.8444

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
S1	C2	H3	122.171		S1	C2	H4	122.171
H3	C2	H4	115.658

All results from a given calculation for H₂CS (Thioformaldehyde)

using model chemistry: TPSSh/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	-0.070
2	C	-0.478
3	H	0.274
4	H	0.274

	x	y	z	Total
	0.000	0.000	-1.781	1.781
CHELPG
AIM
ESP

<r²>	30.520
(<r²>)^1/2	5.524

All results from a given calculation for H2CS (Thioformaldehyde)

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

States and conformations

All results from a given calculation for H₂CS (Thioformaldehyde)