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	hartrees
Energy at 0K	-437.475394
Energy at 298.15K
HF Energy	-437.475394
Nuclear repulsion energy	44.817180

Atom	y (Å)	z (Å)
S1	0.000	0.584
C2	0.000	-1.021
H3	0.930	-1.608
H4	-0.930	-1.608

	S1	C2	H3	H4
S1		1.6053	2.3812	2.3812
C2	1.6053		1.0995	1.0995
H3	2.3812	1.0995		1.8596
H4	2.3812	1.0995	1.8596

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
S1	C2	H3	122.259		S1	C2	H4	122.259
H3	C2	H4	115.483

Number	Element	Mulliken
1	S	-0.077
2	C	-0.113
3	H	0.095
4	H	0.095

All results from a given calculation for H₂CS (Thioformaldehyde)

using model chemistry: mPW1PW91/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>	30.327
(<r²>)^1/2	5.507

All results from a given calculation for H2CS (Thioformaldehyde)

using model chemistry: mPW1PW91/cc-pV(D+d)Z

States and conformations

All results from a given calculation for H₂CS (Thioformaldehyde)