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	hartrees
Energy at 0K	-490.281708
Energy at 298.15K	-490.285644
HF Energy	-490.281708
Nuclear repulsion energy	93.382099

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3650	3499	62.75
2	A'	3520	3375	95.78
3	A'	3176	3045	10.56
4	A'	1694	1624	163.84
5	A'	1494	1433	168.89
6	A'	1362	1305	139.87
7	A'	1171	1122	24.79
8	A'	842	807	26.91
9	A'	429	412	2.71
10	A"	1008	966	30.31
11	A"	743	712	231.08
12	A"	569	546	114.09

Atom	x (Å)	y (Å)
C1	0.000	0.665
S2	-0.774	-0.833
N3	1.325	0.849
H4	-0.574	1.589
H5	1.941	0.037
H6	1.742	1.776

	C1	S2	N3	H4	H5	H6
C1		1.6860	1.3381	1.0879	2.0394	2.0662
S2	1.6860		2.6903	2.4305	2.8509	3.6245
N3	1.3381	2.6903		2.0381	1.0183	1.0160
H4	1.0879	2.4305	2.0381		2.9543	2.3232
H5	2.0394	2.8509	1.0183	2.9543		1.7494
H6	2.0662	3.6245	1.0160	2.3232	1.7494

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H5	119.250	C1	N3	H6	122.130
S2	C1	N3	125.252	S2	C1	H4	120.847
H5	N3	H6	118.620

All results from a given calculation for CHSNH₂ (thioformamide)

using model chemistry: M06-2X/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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Number	Element	Mulliken
1	C	-0.270
2	S	0.012
3	N	-0.701
4	H	0.251
5	H	0.361
6	H	0.347

	x	y	z	Total
	3.636	3.659	0.000	5.158
CHELPG
AIM
ESP

	x	y	z
x	5.389	2.290	0.000
y	2.290	6.123	0.000
z	0.000	0.000	1.683

<r²>	68.520
(<r²>)^1/2	8.278

All results from a given calculation for CHSNH2 (thioformamide)

using model chemistry: M06-2X/3-21G

States and conformations

All results from a given calculation for CHSNH₂ (thioformamide)