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	hartrees
Energy at 0K	-492.208238
Energy at 298.15K	-492.211877
HF Energy	-491.639388
Nuclear repulsion energy	94.812740

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3766	3766	55.23
2	A'	3625	3625	81.53
3	A'	3139	3139	18.56
4	A'	1659	1659	185.77
5	A'	1485	1485	181.43
6	A'	1321	1321	179.44
7	A'	1154	1154	25.12
8	A'	896	896	15.75
9	A'	436	436	1.66
10	A"	981	981	25.06
11	A"	628	628	2.69
12	A"	290	290	187.84

Atom	x (Å)	y (Å)
C1	0.000	0.637
S2	-0.776	-0.803
N3	1.329	0.816
H4	-0.549	1.576
H5	1.933	0.014
H6	1.732	1.733

	C1	S2	N3	H4	H5	H6
C1		1.6360	1.3411	1.0876	2.0307	2.0497
S2	1.6360		2.6560	2.3899	2.8295	3.5671
N3	1.3411	2.6560		2.0258	1.0040	1.0017
H4	1.0876	2.3899	2.0258		2.9322	2.2861
H5	2.0307	2.8295	1.0040	2.9322		1.7311
H6	2.0497	3.5671	1.0017	2.2861	1.7311

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H5	119.281	C1	N3	H6	121.390
S2	C1	N3	126.003	S2	C1	H4	121.368
H5	N3	H6	119.329

All results from a given calculation for CHSNH₂ (thioformamide)

using model chemistry: QCISD/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: QCISD/Def2TZVPP

States and conformations

All results from a given calculation for CHSNH₂ (thioformamide)