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	hartrees
Energy at 0K	-492.129208
Energy at 298.15K	-492.132900
HF Energy	-491.587648
Nuclear repulsion energy	94.621084

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3785	3586	60.50
2	A'	3645	3453	101.20
3	A'	3162	2995	14.45
4	A'	1665	1578	187.18
5	A'	1495	1416	195.03
6	A'	1339	1269	151.60
7	A'	1155	1094	23.73
8	A'	895	848	17.48
9	A'	438	415	2.09
10	A"	995	943	20.32
11	A"	641	607	5.30
12	A"	325	308	193.06

Atom	x (Å)	y (Å)
C1	0.000	0.640
S2	-0.776	-0.808
N3	1.328	0.820
H4	-0.552	1.581
H5	1.934	0.017
H6	1.735	1.738

	C1	S2	N3	H4	H5	H6
C1		1.6424	1.3400	1.0906	2.0319	2.0528
S2	1.6424		2.6599	2.3991	2.8326	3.5751
N3	1.3400	2.6599		2.0275	1.0061	1.0037
H4	1.0906	2.3991	2.0275		2.9366	2.2915
H5	2.0319	2.8326	1.0061	2.9366		1.7321
H6	2.0528	3.5751	1.0037	2.2915	1.7321

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H5	119.323	C1	N3	H6	121.639
S2	C1	N3	125.912	S2	C1	H4	121.439
H5	N3	H6	119.038

All results from a given calculation for CHSNH₂ (thioformamide)

using model chemistry: QCISD/6-31G(2df,p)

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/6-31G(2df,p)

States and conformations

All results from a given calculation for CHSNH₂ (thioformamide)