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	hartrees
Energy at 0K	-437.419017
Energy at 298.15K
HF Energy	-437.419017
Nuclear repulsion energy	44.731591

Atom	y (Å)	z (Å)
S1	0.000	0.585
C2	0.000	-1.023
H3	0.931	-1.612
H4	-0.931	-1.612

	S1	C2	H3	H4
S1		1.6084	2.3859	2.3859
C2	1.6084		1.1014	1.1014
H3	2.3859	1.1014		1.8622
H4	2.3859	1.1014	1.8622

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
S1	C2	H3	122.288		S1	C2	H4	122.288
H3	C2	H4	115.424

Number	Element	Mulliken
1	S	-0.076
2	C	-0.114
3	H	0.095
4	H	0.095

All results from a given calculation for H₂CS (Thioformaldehyde)

using model chemistry: B3PW91/cc-pV(D+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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<r²>	30.397
(<r²>)^1/2	5.513

All results from a given calculation for H2CS (Thioformaldehyde)

using model chemistry: B3PW91/cc-pV(D+d)Z

States and conformations

All results from a given calculation for H₂CS (Thioformaldehyde)