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	hartrees
Energy at 0K	-492.594969
Energy at 298.15K	-492.598620
HF Energy	-492.594969
Nuclear repulsion energy	93.960665

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3607	3569	20.19
2	A'	3474	3437	21.75
3	A'	3016	2985	41.12
4	A'	1622	1605	171.38
5	A'	1432	1417	176.90
6	A'	1302	1288	81.24
7	A'	1121	1109	18.16
8	A'	864	855	14.43
9	A'	425	420	2.31
10	A"	916	906	40.68
11	A"	622	615	4.82
12	A"	341	337	221.08

Atom	x (Å)	y (Å)
C1	0.000	0.643
S2	-0.779	-0.815
N3	1.334	0.830
H4	-0.559	1.591
H5	1.952	0.022
H6	1.744	1.759

	C1	S2	N3	H4	H5	H6
C1		1.6533	1.3466	1.1012	2.0480	2.0708
S2	1.6533		2.6780	2.4166	2.8568	3.6049
N3	1.3466	2.6780		2.0402	1.0172	1.0156
H4	1.1012	2.4166	2.0402		2.9610	2.3096
H5	2.0480	2.8568	1.0172	2.9610		1.7489
H6	2.0708	3.6049	1.0156	2.3096	1.7489

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H5	119.434	C1	N3	H6	121.851
S2	C1	N3	126.126	S2	C1	H4	121.345
H5	N3	H6	118.715

All results from a given calculation for CHSNH₂ (thioformamide)

using model chemistry: PBEPBE/6-311G*

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	-0.167
2	S	-0.155
3	N	-0.627
4	H	0.222
5	H	0.372
6	H	0.354

	x	y	z	Total
	3.425	3.167	0.000	4.665
CHELPG
AIM
ESP

	x	y	z
x	6.717	2.413	0.000
y	2.413	7.045	0.000
z	0.000	0.000	2.521

<r²>	68.132
(<r²>)^1/2	8.254

All results from a given calculation for CHSNH2 (thioformamide)

using model chemistry: PBEPBE/6-311G*

States and conformations

All results from a given calculation for CHSNH₂ (thioformamide)