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	hartrees
Energy at 0K	-475.209611
Energy at 298.15K
HF Energy	-475.123473
Nuclear repulsion energy	76.961032

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	3190	3190	23.31	185.42	0.12	0.22
2	A₁	1815	1815	281.13	2.12	0.16	0.27
3	A₁	1440	1440	2.55	25.37	0.54	0.70
4	A₁	787	787	13.30	29.78	0.29	0.45
5	B₁	817	817	110.99	0.67	0.75	0.86
6	B₁	367	367	2.35	1.50	0.75	0.86
7	B₂	3274	3274	1.43	117.18	0.75	0.86
8	B₂	989	989	0.29	1.59	0.75	0.86
9	B₂	328	328	2.40	0.58	0.75	0.86

Atom	y (Å)	z (Å)
C1	0.000	-1.792
C2	0.000	-0.477
S3	0.000	1.145
H4	0.929	-2.353
H5	-0.929	-2.353

	C1	C2	S3	H4	H5
C1		1.3152	2.9367	1.0853	1.0853
C2	1.3152		1.6214	2.0940	2.0940
S3	2.9367	1.6214		3.6193	3.6193
H4	1.0853	2.0940	3.6193		1.8577
H5	1.0853	2.0940	3.6193	1.8577

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	S3	180.000		C2	C1	H4	121.150
C2	C1	H5	121.150		H4	C1	H5	117.699

All results from a given calculation for CH₂CS (Thioketene)

using model chemistry: B2PLYP=FULL/6-31G

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/6-31G

States and conformations

All results from a given calculation for CH₂CS (Thioketene)