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	hartrees
Energy at 0K	-490.062541
Energy at 298.15K
HF Energy	-489.970717
Nuclear repulsion energy	92.867725

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3636	3636	43.15
2	A'	3506	3506	72.05
3	A'	3175	3175	17.23
4	A'	1709	1709	122.19
5	A'	1485	1485	128.33
6	A'	1345	1345	149.78
7	A'	1175	1175	17.48
8	A'	821	821	15.79
9	A'	428	428	2.84
10	A"	996	996	36.11
11	A"	709	709	156.16
12	A"	554	554	161.78

Atom	x (Å)	y (Å)
C1	0.000	0.670
S2	-0.776	-0.843
N3	1.330	0.862
H4	-0.577	1.590
H5	1.948	0.057
H6	1.737	1.791

	C1	S2	N3	H4	H5	H6
C1		1.7005	1.3436	1.0864	2.0424	2.0676
S2	1.7005		2.7100	2.4414	2.8692	3.6409
N3	1.3436	2.7100		2.0412	1.0157	1.0140
H4	1.0864	2.4414	2.0412		2.9547	2.3233
H5	2.0424	2.8692	1.0157	2.9547		1.7470
H6	2.0676	3.6409	1.0140	2.3233	1.7470

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H5	119.271	C1	N3	H6	121.934
S2	C1	N3	125.400	S2	C1	H4	120.741
H5	N3	H6	118.795

All results from a given calculation for CHSNH₂ (thioformamide)

using model chemistry: B2PLYP=FULLultrafine/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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All results from a given calculation for CHSNH2 (thioformamide)

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

States and conformations

All results from a given calculation for CHSNH₂ (thioformamide)