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	hartrees
Energy at 0K	-491.348096
Energy at 298.15K	-491.351829
HF Energy	-491.348096
Nuclear repulsion energy	94.784820

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'	3598	3561	43.82	162.71	0.59	0.74
2	A'	3459	3423	41.79	272.04	0.16	0.28
3	A'	3008	2977	26.55	174.72	0.33	0.49
4	A'	1574	1558	267.76	4.37	0.50	0.67
5	A'	1429	1414	131.17	0.49	0.17	0.30
6	A'	1301	1287	31.66	3.71	0.73	0.84
7	A'	1104	1093	19.65	16.45	0.47	0.64
8	A'	879	870	12.04	11.32	0.25	0.40
9	A'	426	421	2.32	3.32	0.75	0.86
10	A"	916	907	41.54	0.45	0.75	0.86
11	A"	631	625	9.85	2.32	0.75	0.86
12	A"	406	401	198.03	1.87	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.000	0.638
S2	-0.771	-0.805
N3	1.321	0.818
H4	-0.563	1.587
H5	1.927	-0.002
H6	1.734	1.747

	C1	S2	N3	H4	H5	H6
C1		1.6369	1.3327	1.1026	2.0308	2.0581
S2	1.6369		2.6479	2.4010	2.8153	3.5767
N3	1.3327	2.6479		2.0340	1.0203	1.0172
H4	1.1026	2.4010	2.0340		2.9536	2.3021
H5	2.0308	2.8153	1.0203	2.9536		1.7606
H6	2.0581	3.5767	1.0172	2.3021	1.7606

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H5	118.728	C1	N3	H6	121.713
S2	C1	N3	125.858	S2	C1	H4	121.197
H5	N3	H6	119.559

All results from a given calculation for CHSNH₂ (thioformamide)

using model chemistry: SVWN/6-311G**

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	-0.178
2	S	-0.139
3	N	-0.368
4	H	0.162
5	H	0.270
6	H	0.253

	x	y	z	Total
	3.359	3.090	0.000	4.564
CHELPG
AIM
ESP

	x	y	z
x	6.730	2.346	0.000
y	2.346	7.070	0.000
z	0.000	0.000	2.595

<r²>	67.091
(<r²>)^1/2	8.191

All results from a given calculation for CHSNH2 (thioformamide)

using model chemistry: SVWN/6-311G**

States and conformations

All results from a given calculation for CHSNH₂ (thioformamide)