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	hartrees
Energy at 0K	-475.423800
Energy at 298.15K
HF Energy	-475.242332
Nuclear repulsion energy	78.855379

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	3175	3035	25.92	182.31	0.13	0.23
2	A₁	1819	1739	375.31	10.02	0.17	0.29
3	A₁	1392	1331	0.80	16.00	0.57	0.72
4	A₁	856	819	10.79	32.65	0.24	0.39
5	B₁	719	688	82.38	2.20	0.75	0.86
6	B₁	428	409	5.23	0.26	0.75	0.86
7	B₂	3255	3111	3.81	97.79	0.75	0.86
8	B₂	939	897	0.07	0.33	0.75	0.86
9	B₂	364	348	2.15	0.24	0.75	0.86

Atom	y (Å)	z (Å)
C1	0.000	-1.754
C2	0.000	-0.448
S3	0.000	1.113
H4	0.930	-2.301
H5	-0.930	-2.301

	C1	C2	S3	H4	H5
C1		1.3066	2.8677	1.0789	1.0789
C2	1.3066		1.5611	2.0737	2.0737
S3	2.8677	1.5611		3.5389	3.5389
H4	1.0789	2.0737	3.5389		1.8600
H5	1.0789	2.0737	3.5389	1.8600

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	S3	180.000		C2	C1	H4	120.453
C2	C1	H5	120.453		H4	C1	H5	119.093

All results from a given calculation for CH₂CS (Thioketene)

using model chemistry: B2PLYP=FULL/cc-pVTZ

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=FULL/cc-pVTZ

States and conformations

All results from a given calculation for CH₂CS (Thioketene)