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	hartrees
Energy at 0K	-530.862008
Energy at 298.15K
HF Energy	-530.531728
Nuclear repulsion energy	152.616395

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3790	3554	39.95
2	A	3658	3430	86.28
3	A	3234	3033	2.35
4	A	3148	2952	15.30
5	A	3086	2894	16.60
6	A	1768	1658	161.36
7	A	1572	1474	11.92
8	A	1569	1471	10.30
9	A	1502	1409	16.02
10	A	1465	1374	325.31
11	A	1407	1320	79.02
12	A	1113	1043	2.56
13	A	1089	1021	15.85
14	A	1030	966	44.72
15	A	728	683	236.78
16	A	716	672	26.82
17	A	562	528	81.58
18	A	520	487	39.95
19	A	443	416	1.65
20	A	389	365	2.71
21	A	27	25	0.02

Atom	x (Å)	y (Å)	z (Å)
C1	0.307	0.063	-0.007
S2	-1.401	-0.107	0.000
C3	1.246	-1.126	0.000
N4	0.912	1.269	0.001
H5	0.688	-2.042	-0.187
H6	2.022	-1.014	-0.767
H7	1.738	-1.208	0.978
H8	1.914	1.367	-0.006
H9	0.351	2.105	0.014

	C1	S2	C3	N4	H5	H6	H7	H8	H9
C1		1.7158	1.5156	1.3489	2.1475	2.1639	2.1527	2.0693	2.0423
S2	1.7158		2.8358	2.6909	2.8536	3.6232	3.4665	3.6274	2.8221
C3	1.5156	2.8358		2.4183	1.0887	1.0976	1.0976	2.5811	3.3528
N4	1.3489	2.6909	2.4183		3.3240	2.6523	2.7878	1.0068	1.0066
H5	2.1475	2.8536	1.0887	3.3240		1.7814	1.7765	3.6273	4.1658
H6	2.1639	3.6232	1.0976	2.6523	1.7814		1.7790	2.5020	3.6236
H7	2.1527	3.4665	1.0976	2.7878	1.7765	1.7790		2.7621	3.7185
H8	2.0693	3.6274	2.5811	1.0068	3.6273	2.5020	2.7621		1.7279
H9	2.0423	2.8221	3.3528	1.0066	4.1658	3.6236	3.7185	1.7279

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H5	110.016	C1	C3	H6	110.782
C1	C3	H7	109.893	C1	N4	H8	122.236
C1	N4	H9	119.524	S2	C1	C3	122.581
S2	C1	N4	122.357	C3	C1	N4	115.055
H5	C3	H6	109.138	H5	C3	H7	108.691
H6	C3	H7	108.271	H8	N4	H9	118.240

All results from a given calculation for CH₃CSNH₂ (Ethanethioamide)

using model chemistry: CISD/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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All results from a given calculation for CH3CSNH2 (Ethanethioamide)

using model chemistry: CISD/6-31G

States and conformations

All results from a given calculation for CH₃CSNH₂ (Ethanethioamide)