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	hartrees
Energy at 0K	-474.825322
Energy at 298.15K
HF Energy	-474.385658
Nuclear repulsion energy	78.047637

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3202	3202	19.58
2	A₁	1833	1833	371.36
3	A₁	1398	1398	0.01
4	A₁	872	872	12.76
5	B₁	740	740	72.78
6	B₁	388	388	5.66
7	B₂	3301	3301	1.85
8	B₂	941	941	1.45
9	B₂	338	338	2.45

Atom	y (Å)	z (Å)
C1	0.000	-1.775
C2	0.000	-0.449
S3	0.000	1.124
H4	0.943	-2.323
H5	-0.943	-2.323

	C1	C2	S3	H4	H5
C1		1.3252	2.8990	1.0905	1.0905
C2	1.3252		1.5738	2.0972	2.0972
S3	2.8990	1.5738		3.5738	3.5738
H4	1.0905	2.0972	3.5738		1.8853
H5	1.0905	2.0972	3.5738	1.8853

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	S3	180.000		C2	C1	H4	120.182
C2	C1	H5	120.182		H4	C1	H5	119.635

All results from a given calculation for CH₂CS (Thioketene)

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

States and conformations

All results from a given calculation for CH₂CS (Thioketene)