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	hartrees
Energy at 0K	-492.911350
Energy at 298.15K	-492.915065
HF Energy	-492.911350
Nuclear repulsion energy	94.324133

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3676	3543	38.74
2	A'	3541	3412	42.35
3	A'	3091	2979	29.99
4	A'	1646	1586	166.87
5	A'	1460	1407	165.11
6	A'	1313	1266	137.98
7	A'	1140	1099	19.93
8	A'	878	846	14.16
9	A'	425	410	1.88
10	A"	956	921	32.86
11	A"	629	606	4.47
12	A"	372	359	197.27

Atom	x (Å)	y (Å)
C1	0.000	0.643
S2	-0.778	-0.811
N3	1.331	0.824
H4	-0.551	1.584
H5	1.942	0.020
H6	1.740	1.746

	C1	S2	N3	H4	H5	H6
C1		1.6483	1.3430	1.0914	2.0397	2.0601
S2	1.6483		2.6679	2.4057	2.8440	3.5881
N3	1.3430	2.6679		2.0300	1.0104	1.0087
H4	1.0914	2.4057	2.0300		2.9440	2.2969
H5	2.0397	2.8440	1.0104	2.9440		1.7382
H6	2.0601	3.5881	1.0087	2.2969	1.7382

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H5	119.487	C1	N3	H6	121.678
S2	C1	N3	125.916	S2	C1	H4	121.491
H5	N3	H6	118.834

All results from a given calculation for CHSNH₂ (thioformamide)

using model chemistry: TPSSh/TZVP

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	-0.056
2	S	-0.244
3	N	-0.308
4	H	0.125
5	H	0.246
6	H	0.238

	x	y	z	Total
	3.309	3.127	0.000	4.553
CHELPG
AIM
ESP

	x	y	z
x	6.778	2.244	0.000
y	2.244	7.175	0.000
z	0.000	0.000	3.230

<r²>	67.549
(<r²>)^1/2	8.219

All results from a given calculation for CHSNH2 (thioformamide)

using model chemistry: TPSSh/TZVP

States and conformations

All results from a given calculation for CHSNH₂ (thioformamide)