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	hartrees
Energy at 0K	-492.818056
Energy at 298.15K	-492.821912
HF Energy	-492.818056
Nuclear repulsion energy	92.816103

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3722	3578	34.10
2	A'	3573	3434	49.82
3	A'	3157	3035	29.80
4	A'	1668	1604	154.64
5	A'	1467	1410	127.64
6	A'	1328	1277	154.43
7	A'	1158	1113	16.90
8	A'	841	808	9.85
9	A'	425	409	2.65
10	A"	961	924	53.70
11	A"	671	645	178.13
12	A"	537	516	156.99

Atom	x (Å)	y (Å)
C1	0.000	0.660
S2	-0.788	-0.830
N3	1.349	0.846
H4	-0.565	1.594
H5	1.964	0.040
H6	1.759	1.772

	C1	S2	N3	H4	H5	H6
C1		1.6854	1.3618	1.0919	2.0599	2.0811
S2	1.6854		2.7159	2.4347	2.8864	3.6412
N3	1.3618	2.7159		2.0550	1.0142	1.0128
H4	1.0919	2.4347	2.0550		2.9687	2.3306
H5	2.0599	2.8864	1.0142	2.9687		1.7446
H6	2.0811	3.6412	1.0128	2.3306	1.7446

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H5	119.490	C1	N3	H6	121.725
S2	C1	N3	125.727	S2	C1	H4	120.977
H5	N3	H6	118.785

All results from a given calculation for CHSNH₂ (thioformamide)

using model chemistry: B3LYP/SDD

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	-0.428
2	S	-0.004
3	N	-0.461
4	H	0.243
5	H	0.332
6	H	0.319

	x	y	z	Total
	3.426	3.234	0.000	4.711
CHELPG
AIM
ESP

	x	y	z
x	5.628	2.369	0.000
y	2.369	6.279	0.000
z	0.000	0.000	1.894

<r²>	69.286
(<r²>)^1/2	8.324

All results from a given calculation for CHSNH2 (thioformamide)

using model chemistry: B3LYP/SDD

States and conformations

All results from a given calculation for CHSNH₂ (thioformamide)