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	hartrees
Energy at 0K	-475.353061
Energy at 298.15K
HF Energy	-475.209397
Nuclear repulsion energy	78.076418

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A₁	3172	3172	26.67	203.70	0.10	0.18
2	A₁	1807	1807	393.90	19.47	0.23	0.37
3	A₁	1371	1371	0.77	16.73	0.56	0.72
4	A₁	850	850	11.03	43.34	0.14	0.24
5	B₁	719	719	78.86	5.12	0.75	0.86
6	B₁	397	397	6.27	0.27	0.75	0.86
7	B₂	3270	3270	3.72	97.11	0.75	0.86
8	B₂	920	920	0.47	0.08	0.75	0.86
9	B₂	346	346	2.43	0.00	0.75	0.86

Atom	y (Å)	z (Å)
C1	0.000	-1.772
C2	0.000	-0.452
S3	0.000	1.124
H4	0.939	-2.324
H5	-0.939	-2.324

	C1	C2	S3	H4	H5
C1		1.3205	2.8968	1.0889	1.0889
C2	1.3205		1.5763	2.0941	2.0941
S3	2.8968	1.5763		3.5736	3.5736
H4	1.0889	2.0941	3.5736		1.8782
H5	1.0889	2.0941	3.5736	1.8782

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	S3	180.000		C2	C1	H4	120.413
C2	C1	H5	120.413		H4	C1	H5	119.175

All results from a given calculation for CH₂CS (Thioketene)

using model chemistry: B2PLYP=FULLultrafine/daug-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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All results from a given calculation for CH2CS (Thioketene)

using model chemistry: B2PLYP=FULLultrafine/daug-cc-pVDZ

States and conformations

All results from a given calculation for CH₂CS (Thioketene)