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	hartrees
Energy at 0K	-492.791848
Energy at 298.15K	-492.795532
HF Energy	-492.791848
Nuclear repulsion energy	94.534913

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3724	3724	67.77
2	A'	3574	3574	77.39
3	A'	3122	3122	21.80
4	A'	1618	1618	277.32
5	A'	1469	1469	143.71
6	A'	1330	1330	90.66
7	A'	1135	1135	23.13
8	A'	903	903	17.29
9	A'	435	435	2.19
10	A"	970	970	24.77
11	A"	637	637	6.76
12	A"	325	325	187.34

Atom	x (Å)	y (Å)
C1	0.000	0.641
S2	-0.776	-0.806
N3	1.328	0.816
H4	-0.552	1.593
H5	1.929	-0.001
H6	1.744	1.739

	C1	S2	N3	H4	H5	H6
C1		1.6424	1.3399	1.0998	2.0334	2.0601
S2	1.6424		2.6574	2.4091	2.8228	3.5812
N3	1.3399	2.6574		2.0344	1.0144	1.0115
H4	1.0998	2.4091	2.0344		2.9490	2.3003
H5	2.0334	2.8228	1.0144	2.9490		1.7496
H6	2.0601	3.5812	1.0115	2.3003	1.7496

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H5	118.817	C1	N3	H6	121.734
S2	C1	N3	125.709	S2	C1	H4	121.663
H5	N3	H6	119.449

All results from a given calculation for CHSNH₂ (thioformamide)

using model chemistry: M06-2X/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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Number	Element	Mulliken
1	C	-0.019
2	S	-0.229
3	N	-0.072
4	H	0.070
5	H	0.128
6	H	0.123

	x	y	z	Total
	3.264	3.084	0.000	4.491
CHELPG
AIM
ESP

	x	y	z
x	6.035	2.121	0.000
y	2.121	6.489	0.000
z	0.000	0.000	2.391

<r²>	66.943
(<r²>)^1/2	8.182

All results from a given calculation for CHSNH2 (thioformamide)

using model chemistry: M06-2X/cc-pVDZ

States and conformations

All results from a given calculation for CHSNH₂ (thioformamide)