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	hartrees
Energy at 0K	-474.888732
Energy at 298.15K
HF Energy	-474.372432
Nuclear repulsion energy	79.181855

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3243	3243	28.61
2	A₁	1889	1889	320.15
3	A₁	1418	1418	0.15
4	A₁	886	886	14.46
5	B₁	747	747	72.03
6	B₁	449	449	2.76
7	B₂	3337	3337	4.60
8	B₂	970	970	0.13
9	B₂	381	381	1.58

Atom	y (Å)	z (Å)
C1	0.000	-1.747
C2	0.000	-0.443
S3	0.000	1.108
H4	0.930	-2.294
H5	-0.930	-2.294

	C1	C2	S3	H4	H5
C1		1.3040	2.8555	1.0788	1.0788
C2	1.3040		1.5515	2.0711	2.0711
S3	2.8555	1.5515		3.5268	3.5268
H4	1.0788	2.0711	3.5268		1.8603
H5	1.0788	2.0711	3.5268	1.8603

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	S3	180.000		C2	C1	H4	120.432
C2	C1	H5	120.432		H4	C1	H5	119.136

All results from a given calculation for CH₂CS (Thioketene)

using model chemistry: MP3=FULL/6-31G(2df,p)

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/6-31G(2df,p)

States and conformations

All results from a given calculation for CH₂CS (Thioketene)