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	hartrees
Energy at 0K	-27.498210
Energy at 298.15K	-27.501761
HF Energy	-27.498210
Nuclear repulsion energy	35.694672

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3696	3569	38.01
2	A'	3558	3436	49.20
3	A'	3105	2999	34.06
4	A'	1636	1580	181.80
5	A'	1442	1392	157.18
6	A'	1299	1255	141.56
7	A'	1114	1076	22.65
8	A'	867	837	10.91
9	A'	420	406	2.19
10	A"	944	912	38.72
11	A"	613	592	5.48
12	A"	271	261	256.95

Atom	x (Å)	y (Å)
C1	0.000	0.650
S2	-0.790	-0.817
N3	1.352	0.828
H4	-0.550	1.604
H5	1.965	0.013
H6	1.767	1.757

	C1	S2	N3	H4	H5	H6
C1		1.6657	1.3641	1.1019	2.0652	2.0855
S2	1.6657		2.7011	2.4326	2.8771	3.6285
N3	1.3641	2.7011		2.0551	1.0195	1.0179
H4	1.1019	2.4326	2.0551		2.9763	2.3224
H5	2.0652	2.8771	1.0195	2.9763		1.7561
H6	2.0855	3.6285	1.0179	2.3224	1.7561

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H5	119.393	C1	N3	H6	121.542
S2	C1	N3	125.841	S2	C1	H4	121.698
H5	N3	H6	119.065

All results from a given calculation for CHSNH₂ (thioformamide)

using model chemistry: B3LYP/CEP-31G*

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	-0.212
2	S	-0.364
3	N	-0.341
4	H	0.253
5	H	0.347
6	H	0.317

	x	y	z	Total
	3.380	3.185	0.000	4.644
CHELPG
AIM
ESP

	x	y	z
x	6.032	2.542	0.000
y	2.542	6.659	0.000
z	0.000	0.000	2.398

<r²>	49.406
(<r²>)^1/2	7.029

All results from a given calculation for CHSNH2 (thioformamide)

using model chemistry: B3LYP/CEP-31G*

States and conformations

All results from a given calculation for CHSNH₂ (thioformamide)