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	hartrees
Energy at 0K	-492.682441
Energy at 298.15K
HF Energy	-492.491194
Nuclear repulsion energy	94.432709

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3736	3736	35.55
2	A'	3600	3600	55.73
3	A'	3129	3129	32.65
4	A'	1694	1694	169.19
5	A'	1489	1489	185.21
6	A'	1336	1336	148.96
7	A'	1167	1167	22.04
8	A'	891	891	15.89
9	A'	440	440	1.70
10	A"	961	961	38.91
11	A"	630	630	4.56
12	A"	307	307	244.53

Atom	x (Å)	y (Å)
C1	0.000	0.639
S2	-0.776	-0.811
N3	1.329	0.828
H4	-0.558	1.576
H5	1.944	0.029
H6	1.732	1.749

	C1	S2	N3	H4	H5	H6
C1		1.6452	1.3423	1.0906	2.0371	2.0568
S2	1.6452		2.6681	2.3976	2.8470	3.5840
N3	1.3423	2.6681		2.0299	1.0075	1.0055
H4	1.0906	2.3976	2.0299		2.9411	2.2959
H5	2.0371	2.8470	1.0075	2.9411		1.7326
H6	2.0568	3.5840	1.0055	2.2959	1.7326

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H5	119.525	C1	N3	H6	121.677
S2	C1	N3	126.230	S2	C1	H4	121.080
H5	N3	H6	118.798

All results from a given calculation for CHSNH₂ (thioformamide)

using model chemistry: B2PLYP=FULLultrafine/6-311G*

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/6-311G*

States and conformations

All results from a given calculation for CHSNH₂ (thioformamide)