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	hartrees
Energy at 0K	-474.782282
Energy at 298.15K
HF Energy	-474.380381
Nuclear repulsion energy	78.018513

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	3206	3047	27.14	168.74	0.12	0.21
2	A₁	1837	1746	289.42	1.32	0.02	0.04
3	A₁	1379	1311	1.50	12.42	0.58	0.74
4	A₁	869	826	3.53	27.47	0.28	0.44
5	B₁	655	623	86.69	0.74	0.75	0.86
6	B₁	422	401	1.58	0.43	0.75	0.86
7	B₂	3314	3150	4.66	103.93	0.75	0.86
8	B₂	931	885	0.00	0.35	0.75	0.86
9	B₂	358	340	1.97	0.44	0.75	0.86

Atom	y (Å)	z (Å)
C1	0.000	-1.776
C2	0.000	-0.448
S3	0.000	1.124
H4	0.945	-2.324
H5	-0.945	-2.324

	C1	C2	S3	H4	H5
C1		1.3283	2.9005	1.0928	1.0928
C2	1.3283		1.5722	2.1011	2.1011
S3	2.9005	1.5722		3.5758	3.5758
H4	1.0928	2.1011	3.5758		1.8907
H5	1.0928	2.1011	3.5758	1.8907

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	S3	180.000		C2	C1	H4	120.105
C2	C1	H5	120.105		H4	C1	H5	119.790

All results from a given calculation for CH₂CS (Thioketene)

using model chemistry: MP2=FULL/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: MP2=FULL/cc-pVDZ

States and conformations

All results from a given calculation for CH₂CS (Thioketene)