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	hartrees
Energy at 0K	-437.446319
Energy at 298.15K
HF Energy	-437.223235
Nuclear repulsion energy	44.848469

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3089	3089	30.11
2	A₁	1501	1501	3.12
3	A₁	1084	1084	10.90
4	B₁	1028	1028	40.91
5	B₂	3175	3175	3.58
6	B₂	1007	1007	2.31

Atom	y (Å)	z (Å)
S1	0.000	0.584
C2	0.000	-1.025
H3	0.921	-1.600
H4	-0.921	-1.600

	S1	C2	H3	H4
S1		1.6092	2.3706	2.3706
C2	1.6092		1.0856	1.0856
H3	2.3706	1.0856		1.8412
H4	2.3706	1.0856	1.8412

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
S1	C2	H3	122.004		S1	C2	H4	122.004
H3	C2	H4	115.993

All results from a given calculation for H₂CS (Thioformaldehyde)

using model chemistry: B2PLYP=FULLultrafine/aug-cc-pCVTZ

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	-0.017
2	C	-0.871
3	H	0.444
4	H	0.444

	x	y	z	Total
	0.000	0.000	-1.734	1.734
CHELPG
AIM
ESP

	x	y	z
x	3.917	0.000	0.000
y	0.000	4.642	0.023
z	0.000	0.023	6.718

<r²>	30.644
(<r²>)^1/2	5.536

All results from a given calculation for H2CS (Thioformaldehyde)

using model chemistry: B2PLYP=FULLultrafine/aug-cc-pCVTZ

States and conformations

All results from a given calculation for H₂CS (Thioformaldehyde)