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	hartrees
Energy at 0K	-492.924134
Energy at 298.15K	-492.927824
HF Energy	-492.924134
Nuclear repulsion energy	94.701228

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3678	3678	37.52
2	A'	3542	3542	38.80
3	A'	3082	3082	29.59
4	A'	1637	1637	167.67
5	A'	1459	1459	162.98
6	A'	1312	1312	125.74
7	A'	1137	1137	18.49
8	A'	885	885	12.94
9	A'	424	424	2.26
10	A"	963	963	26.84
11	A"	635	635	3.19
12	A"	348	348	168.72

Atom	x (Å)	y (Å)
C1	0.000	0.638
S2	-0.778	-0.803
N3	1.330	0.814
H4	-0.545	1.583
H5	1.937	0.007
H6	1.742	1.733

	C1	S2	N3	H4	H5	H6
C1		1.6370	1.3418	1.0911	2.0366	2.0578
S2	1.6370		2.6565	2.3967	2.8326	3.5749
N3	1.3418	2.6565		2.0271	1.0091	1.0073
H4	1.0911	2.3967	2.0271		2.9398	2.2925
H5	2.0366	2.8326	1.0091	2.9398		1.7367
H6	2.0578	3.5749	1.0073	2.2925	1.7367

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H5	119.395	C1	N3	H6	121.681
S2	C1	N3	125.910	S2	C1	H4	121.636
H5	N3	H6	118.924

All results from a given calculation for CHSNH₂ (thioformamide)

using model chemistry: TPSSh/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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Number	Element	Mulliken
1	C	0.070
2	S	-0.303
3	N	-0.220
4	H	0.079
5	H	0.192
6	H	0.182

	x	y	z	Total
	3.220	3.018	0.000	4.413
CHELPG
AIM
ESP

	x	y	z
x	7.208	2.037	0.000
y	2.037	7.342	0.000
z	0.000	0.000	3.808

<r²>	67.056
(<r²>)^1/2	8.189

All results from a given calculation for CHSNH2 (thioformamide)

using model chemistry: TPSSh/Def2TZVPP

States and conformations

All results from a given calculation for CHSNH₂ (thioformamide)