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	hartrees
Energy at 0K	-437.273678
Energy at 298.15K	-437.275059
HF Energy	-437.273678
Nuclear repulsion energy	44.641677

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3084	2965	25.71
2	A₁	1469	1412	4.86
3	A₁	1118	1075	14.60
4	B₁	1017	978	40.72
5	B₂	3181	3058	7.00
6	B₂	991	953	3.38

Atom	y (Å)	z (Å)
S1	0.000	0.586
C2	0.000	-1.026
H3	0.932	-1.612
H4	-0.932	-1.612

	S1	C2	H3	H4
S1		1.6129	2.3879	2.3879
C2	1.6129		1.1005	1.1005
H3	2.3879	1.1005		1.8633
H4	2.3879	1.1005	1.8633

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
S1	C2	H3	122.156		S1	C2	H4	122.156
H3	C2	H4	115.689

All results from a given calculation for H₂CS (Thioformaldehyde)

using model chemistry: PBE1PBE/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	-0.087
2	C	-0.106
3	H	0.096
4	H	0.096

	x	y	z	Total
	0.000	0.000	-1.726	1.726
CHELPG
AIM
ESP

<r²>	30.503
(<r²>)^1/2	5.523

All results from a given calculation for H2CS (Thioformaldehyde)

using model chemistry: PBE1PBE/cc-pVDZ

States and conformations

All results from a given calculation for H₂CS (Thioformaldehyde)