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	hartrees
Energy at 0K	-492.402965
Energy at 298.15K	-492.406628
HF Energy	-491.639602
Nuclear repulsion energy	95.044628

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3769	3769	57.20
2	A'	3628	3628	85.93
3	A'	3143	3143	17.24
4	A'	1664	1664	195.00
5	A'	1495	1495	187.68
6	A'	1325	1325	192.99
7	A'	1162	1162	26.24
8	A'	907	907	15.41
9	A'	439	439	1.62
10	A"	989	989	25.31
11	A"	632	632	3.10
12	A"	301	301	188.71

Atom	x (Å)	y (Å)
C1	0.000	0.634
S2	-0.775	-0.801
N3	1.326	0.814
H4	-0.548	1.571
H5	1.930	0.013
H6	1.728	1.730

	C1	S2	N3	H4	H5	H6
C1		1.6308	1.3385	1.0850	2.0275	2.0464
S2	1.6308		2.6500	2.3823	2.8248	3.5595
N3	1.3385	2.6500		2.0212	1.0027	1.0003
H4	1.0850	2.3823	2.0212		2.9266	2.2815
H5	2.0275	2.8248	1.0027	2.9266		1.7284
H6	2.0464	3.5595	1.0003	2.2815	1.7284

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H5	119.301	C1	N3	H6	121.404
S2	C1	N3	126.087	S2	C1	H4	121.311
H5	N3	H6	119.294

All results from a given calculation for CHSNH₂ (thioformamide)

using model chemistry: CCSD=FULL/Def2TZVPP

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: CCSD=FULL/Def2TZVPP

States and conformations

All results from a given calculation for CHSNH₂ (thioformamide)