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	hartrees
Energy at 0K	-492.876308
Energy at 298.15K	-492.879946
HF Energy	-492.876308
Nuclear repulsion energy	93.828500

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3570	3558	27.31
2	A'	3439	3427	22.11
3	A'	3001	2991	31.29
4	A'	1587	1582	141.89
5	A'	1406	1401	144.25
6	A'	1264	1259	136.30
7	A'	1107	1104	15.39
8	A'	847	844	13.55
9	A'	420	419	2.25
10	A"	920	916	28.97
11	A"	607	605	1.64
12	A"	339	337	157.08

Atom	x (Å)	y (Å)
C1	0.000	0.643
S2	-0.783	-0.814
N3	1.340	0.828
H4	-0.553	1.590
H5	1.958	0.021
H6	1.748	1.756

	C1	S2	N3	H4	H5	H6
C1		1.6545	1.3528	1.0958	2.0542	2.0717
S2	1.6545		2.6840	2.4146	2.8656	3.6069
N3	1.3528	2.6840		2.0405	1.0156	1.0137
H4	1.0958	2.4146	2.0405		2.9600	2.3064
H5	2.0542	2.8656	1.0156	2.9600		1.7470
H6	2.0717	3.6069	1.0137	2.3064	1.7470

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H5	119.626	C1	N3	H6	121.531
S2	C1	N3	126.087	S2	C1	H4	121.452
H5	N3	H6	118.843

All results from a given calculation for CHSNH₂ (thioformamide)

using model chemistry: BLYP/aug-cc-pVTZ

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	-0.148
2	S	-0.234
3	N	-0.101
4	H	0.341
5	H	0.072
6	H	0.069

	x	y	z	Total
	3.065	2.918	0.000	4.232
CHELPG
AIM
ESP

	x	y	z
x	9.004	1.957	0.000
y	1.957	8.702	0.000
z	0.000	0.000	5.274

<r²>	68.582
(<r²>)^1/2	8.281

All results from a given calculation for CHSNH2 (thioformamide)

using model chemistry: BLYP/aug-cc-pVTZ

States and conformations

All results from a given calculation for CHSNH₂ (thioformamide)