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	hartrees
Energy at 0K	-491.512613
Energy at 298.15K	-491.516634
HF Energy	-491.512613
Nuclear repulsion energy	93.689417

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'	3972	3576	69.19	60.04	0.67	0.80
2	A'	3824	3443	103.43	112.18	0.15	0.26
3	A'	3371	3035	25.20	88.35	0.31	0.47
4	A'	1833	1650	183.44	5.55	0.73	0.84
5	A'	1600	1441	160.60	1.24	0.37	0.54
6	A'	1414	1273	302.75	7.30	0.13	0.23
7	A'	1268	1142	46.91	5.33	0.53	0.69
8	A'	874	787	39.14	13.74	0.28	0.44
9	A'	455	410	2.46	7.27	0.64	0.78
10	A"	1082	974	24.41	5.55	0.75	0.86
11	A"	785	707	357.41	0.12	0.75	0.86
12	A"	599	540	86.83	0.67	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.000	0.655
S2	-0.772	-0.836
N3	1.325	0.860
H4	-0.577	1.562
H5	1.948	0.083
H6	1.713	1.776

	C1	S2	N3	H4	H5	H6
C1		1.6786	1.3408	1.0757	2.0299	2.0475
S2	1.6786		2.6972	2.4058	2.8713	3.6053
N3	1.3408	2.6972		2.0277	0.9958	0.9943
H4	1.0757	2.4058	2.0277		2.9264	2.3007
H5	2.0299	2.8713	0.9958	2.9264		1.7084
H6	2.0475	3.6053	0.9943	2.3007	1.7084

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H5	119.896	C1	N3	H6	121.823
S2	C1	N3	126.219	S2	C1	H4	120.140
H5	N3	H6	118.281

All results from a given calculation for CHSNH₂ (thioformamide)

using model chemistry: HF/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	-0.251
2	S	-0.075
3	N	-0.659
4	H	0.223
5	H	0.389
6	H	0.373

	x	y	z	Total
	3.567	3.912	0.000	5.294
CHELPG
AIM
ESP

	x	y	z
x	5.044	2.303	0.000
y	2.303	6.194	0.000
z	0.000	0.000	1.767

<r²>	68.853
(<r²>)^1/2	8.298

All results from a given calculation for CHSNH2 (thioformamide)

using model chemistry: HF/SDD

States and conformations

All results from a given calculation for CHSNH₂ (thioformamide)