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	hartrees
Energy at 0K	-474.827871
Energy at 298.15K
HF Energy	-474.386201
Nuclear repulsion energy	78.057156

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3199	3199	19.83
2	A₁	1832	1832	373.05
3	A₁	1397	1397	0.01
4	A₁	872	872	12.52
5	B₁	732	732	72.84
6	B₁	385	385	5.55
7	B₂	3299	3299	1.77
8	B₂	936	936	1.43
9	B₂	339	339	2.50

Atom	y (Å)	z (Å)
C1	0.000	-1.774
C2	0.000	-0.449
S3	0.000	1.124
H4	0.942	-2.323
H5	-0.942	-2.323

	C1	C2	S3	H4	H5
C1		1.3252	2.8987	1.0901	1.0901
C2	1.3252		1.5735	2.0974	2.0974
S3	2.8987	1.5735		3.5739	3.5739
H4	1.0901	2.0974	3.5739		1.8836
H5	1.0901	2.0974	3.5739	1.8836

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	S3	180.000		C2	C1	H4	120.233
C2	C1	H5	120.233		H4	C1	H5	119.534

All results from a given calculation for CH₂CS (Thioketene)

using model chemistry: MP3=FULL/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: MP3=FULL/daug-cc-pVDZ

States and conformations

All results from a given calculation for CH₂CS (Thioketene)