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	hartrees
Energy at 0K	-26.784280
Energy at 298.15K	-26.788294
HF Energy	-26.784280
Nuclear repulsion energy	35.865500

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'	3937	3592	48.38	65.12	0.66	0.79
2	A'	3781	3450	87.37	125.64	0.17	0.29
3	A'	3309	3019	17.44	103.21	0.36	0.53
4	A'	1826	1666	179.62	5.87	0.75	0.86
5	A'	1578	1440	189.92	2.35	0.43	0.61
6	A'	1400	1278	294.41	8.52	0.16	0.27
7	A'	1247	1138	55.73	6.78	0.55	0.71
8	A'	860	785	48.34	11.67	0.19	0.32
9	A'	443	404	2.04	6.90	0.68	0.81
10	A"	1069	975	23.54	4.00	0.75	0.86
11	A"	765	698	292.08	0.73	0.75	0.86
12	A"	596	544	100.60	0.79	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.000	0.665
S2	-0.773	-0.848
N3	1.327	0.873
H4	-0.587	1.572
H5	1.948	0.095
H6	1.713	1.789

	C1	S2	N3	H4	H5	H6
C1		1.6989	1.3430	1.0798	2.0296	2.0489
S2	1.6989		2.7144	2.4266	2.8790	3.6238
N3	1.3430	2.7144		2.0372	0.9954	0.9943
H4	1.0798	2.4266	2.0372		2.9334	2.3102
H5	2.0296	2.8790	0.9954	2.9334		1.7104
H6	2.0489	3.6238	0.9943	2.3102	1.7104

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H5	119.700	C1	N3	H6	121.761
S2	C1	N3	125.944	S2	C1	H4	120.032
H5	N3	H6	118.539

All results from a given calculation for CHSNH₂ (thioformamide)

using model chemistry: HF/CEP-121G

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	-0.201
3	N	-0.554
4	H	0.185
5	H	0.369
6	H	0.349

	x	y	z	Total
	3.699	4.218	0.000	5.610
CHELPG
AIM
ESP

	x	y	z
x	5.703	2.308	0.000
y	2.308	6.849	0.000
z	0.000	0.000	2.493

<r²>	50.073
(<r²>)^1/2	7.076

All results from a given calculation for CHSNH2 (thioformamide)

using model chemistry: HF/CEP-121G

States and conformations

All results from a given calculation for CHSNH₂ (thioformamide)