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	hartrees
Energy at 0K	-492.643455
Energy at 298.15K	-492.647162
HF Energy	-492.485230
Nuclear repulsion energy	94.060816

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3716	3574	47.25
2	A'	3567	3431	56.95
3	A'	3129	3010	22.07
4	A'	1642	1579	179.62
5	A'	1457	1401	181.10
6	A'	1311	1261	129.98
7	A'	1139	1096	18.06
8	A'	885	851	12.39
9	A'	431	415	1.90
10	A"	957	920	31.36
11	A"	623	599	2.45
12	A"	358	344	174.08

Atom	x (Å)	y (Å)
C1	0.000	0.645
S2	-0.781	-0.811
N3	1.337	0.823
H4	-0.555	1.591
H5	1.946	0.015
H6	1.744	1.747

	C1	S2	N3	H4	H5	H6
C1		1.6522	1.3487	1.0973	2.0450	2.0634
S2	1.6522		2.6751	2.4134	2.8491	3.5946
N3	1.3487	2.6751		2.0416	1.0117	1.0095
H4	1.0973	2.4134	2.0416		2.9558	2.3044
H5	2.0450	2.8491	1.0117	2.9558		1.7432
H6	2.0634	3.5946	1.0095	2.3044	1.7432

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H5	119.397	C1	N3	H6	121.422
S2	C1	N3	125.814	S2	C1	H4	121.427
H5	N3	H6	119.181

All results from a given calculation for CHSNH₂ (thioformamide)

using model chemistry: B2PLYP=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 CHSNH2 (thioformamide)

using model chemistry: B2PLYP=FULL/aug-cc-pVDZ

States and conformations

All results from a given calculation for CHSNH₂ (thioformamide)