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	hartrees
Energy at 0K	-474.851363
Energy at 298.15K
HF Energy	-474.384516
Nuclear repulsion energy	77.502145

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3157	3066
2	A₁	1783	1732
3	A₁	1378	1338
4	A₁	831	807
5	B₁	705	685
6	B₁	368	357
7	B₂	3257	3163
8	B₂	923	897
9	B₂	324	315

Atom	y (Å)	z (Å)
C1	0.000	-1.787
C2	0.000	-0.454
S3	0.000	1.133
H4	0.946	-2.337
H5	-0.946	-2.337

	C1	C2	S3	H4	H5
C1		1.3330	2.9202	1.0939	1.0939
C2	1.3330		1.5872	2.1071	2.1071
S3	2.9202	1.5872		3.5967	3.5967
H4	1.0939	2.1071	3.5967		1.8913
H5	1.0939	2.1071	3.5967	1.8913

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	S3	180.000		C2	C1	H4	120.180
C2	C1	H5	120.180		H4	C1	H5	119.641

All results from a given calculation for CH₂CS (Thioketene)

using model chemistry: CCSD(T)=FULL/aug-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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HF vs MP2 Bad vib. Calc. vs exp. 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All results from a given calculation for CH2CS (Thioketene)

using model chemistry: CCSD(T)=FULL/aug-cc-pVDZ

States and conformations

All results from a given calculation for CH₂CS (Thioketene)