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	hartrees
Energy at 0K	-492.747669
Energy at 298.15K	-492.751628
HF Energy	-492.747669
Nuclear repulsion energy	93.313028

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A'	3775	3775	45.92	79.33	0.65	0.79
2	A'	3635	3635	72.41	138.17	0.15	0.27
3	A'	3192	3192	16.44	115.16	0.34	0.51
4	A'	1717	1717	180.93	4.82	0.75	0.86
5	A'	1513	1513	183.90	2.81	0.19	0.32
6	A'	1378	1378	129.00	4.19	0.47	0.64
7	A'	1193	1193	25.15	11.48	0.51	0.68
8	A'	867	867	21.21	14.62	0.27	0.42
9	A'	441	441	2.39	5.99	0.65	0.79
10	A"	995	995	30.47	1.26	0.75	0.86
11	A"	754	754	280.28	0.44	0.75	0.86
12	A"	575	575	98.73	0.75	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.000	0.662
S2	-0.774	-0.837
N3	1.327	0.857
H4	-0.584	1.581
H5	1.948	0.061
H6	1.730	1.780

	C1	S2	N3	H4	H5	H6
C1		1.6871	1.3413	1.0887	2.0384	2.0596
S2	1.6871		2.6989	2.4256	2.8663	3.6219
N3	1.3413	2.6989		2.0433	1.0092	1.0073
H4	1.0887	2.4256	2.0433		2.9526	2.3217
H5	2.0384	2.8663	1.0092	2.9526		1.7328
H6	2.0596	3.6219	1.0073	2.3217	1.7328

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H5	119.608	C1	N3	H6	121.906
S2	C1	N3	125.663	S2	C1	H4	120.279
H5	N3	H6	118.486

All results from a given calculation for CHSNH₂ (thioformamide)

using model chemistry: wB97X-D/6-31G

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	-0.183
2	S	-0.083
3	N	-0.678
4	H	0.207
5	H	0.375
6	H	0.362

	x	y	z	Total
	3.617	3.721	0.000	5.189
CHELPG
AIM
ESP

	x	y	z
x	5.738	2.317	0.000
y	2.317	6.449	0.000
z	0.000	0.000	2.013

<r²>	68.684
(<r²>)^1/2	8.288

All results from a given calculation for CHSNH2 (thioformamide)

using model chemistry: wB97X-D/6-31G

States and conformations

All results from a given calculation for CHSNH₂ (thioformamide)