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	hartrees
Energy at 0K	-489.354853
Energy at 298.15K	-489.358763
HF Energy	-489.099089
Nuclear repulsion energy	92.668617

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A'	3653	3487	48.88	90.84	0.65	0.79
2	A'	3517	3357	106.70	145.00	0.16	0.28
3	A'	3184	3039	17.38	101.04	0.38	0.55
4	A'	1731	1652	117.23	5.91	0.73	0.85
5	A'	1504	1436	137.91	1.18	0.23	0.38
6	A'	1342	1281	223.97	8.06	0.41	0.59
7	A'	1191	1137	19.61	17.03	0.43	0.60
8	A'	846	807	16.03	43.58	0.31	0.47
9	A'	438	418	2.31	7.57	0.62	0.76
10	A"	1007	961	41.45	1.45	0.75	0.86
11	A"	696	664	129.62	1.06	0.75	0.86
12	A"	544	519	192.76	0.61	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.000	0.668
S2	-0.779	-0.845
N3	1.335	0.866
H4	-0.582	1.587
H5	1.958	0.062
H6	1.738	1.797

	C1	S2	N3	H4	H5	H6
C1		1.7009	1.3499	1.0881	2.0490	2.0727
S2	1.7009		2.7193	2.4395	2.8827	3.6485
N3	1.3499	2.7193		2.0482	1.0163	1.0143
H4	1.0881	2.4395	2.0482		2.9619	2.3294
H5	2.0490	2.8827	1.0163	2.9619		1.7482
H6	2.0727	3.6485	1.0143	2.3294	1.7482

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H5	119.312	C1	N3	H6	121.851
S2	C1	N3	125.696	S2	C1	H4	120.425
H5	N3	H6	118.838

All results from a given calculation for CHSNH₂ (thioformamide)

using model chemistry: MP2/3-21G

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: MP2/3-21G

States and conformations

All results from a given calculation for CHSNH₂ (thioformamide)