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	hartrees
Energy at 0K	-472.878944
Energy at 298.15K
HF Energy	-472.791650
Nuclear repulsion energy	77.309500

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	3177	3025	28.97	167.82	0.13	0.22
2	A₁	1827	1740	270.97	1.73	0.07	0.13
3	A₁	1453	1383	3.16	25.41	0.54	0.70
4	A₁	793	755	12.57	27.30	0.34	0.50
5	B₁	811	772	111.22	0.46	0.75	0.86
6	B₁	424	404	4.55	1.38	0.75	0.86
7	B₂	3253	3097	3.92	112.11	0.75	0.86
8	B₂	988	941	0.78	2.12	0.75	0.86
9	B₂	359	342	3.41	0.64	0.75	0.86

Atom	y (Å)	z (Å)
C1	0.000	-1.782
C2	0.000	-0.477
S3	0.000	1.140
H4	0.929	-2.341
H5	-0.929	-2.341

	C1	C2	S3	H4	H5
C1		1.3048	2.9212	1.0844	1.0844
C2	1.3048		1.6164	2.0829	2.0829
S3	2.9212	1.6164		3.6025	3.6025
H4	1.0844	2.0829	3.6025		1.8577
H5	1.0844	2.0829	3.6025	1.8577

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	S3	180.000		C2	C1	H4	121.066
C2	C1	H5	121.066		H4	C1	H5	117.868

All results from a given calculation for (Thioketene)

using model chemistry: B2PLYP=FULL/3-21G

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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