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	hartrees
Energy at 0K	-531.217510
Energy at 298.15K
HF Energy	-530.621200
Nuclear repulsion energy	155.343774

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3817	3566	49.25
2	A	3667	3427	86.92
3	A	3284	3069	1.69
4	A	3211	3000	10.28
5	A	3128	2922	13.97
6	A	1689	1578	182.90
7	A	1546	1444	14.78
8	A	1545	1443	9.25
9	A	1455	1360	119.54
10	A	1445	1350	193.41
11	A	1367	1277	21.04
12	A	1065	995	0.06
13	A	1056	986	28.34
14	A	1026	958	1.63
15	A	763	713	4.04
16	A	618	577	11.06
17	A	517	483	8.96
18	A	437	408	0.59
19	A	390	365	1.57
20	A	238	223	213.84
21	A	37	35	0.10

Atom	x (Å)	y (Å)	z (Å)
C1	0.270	0.056	0.001
S2	-1.364	-0.111	-0.000
C3	1.230	-1.106	-0.000
N4	0.885	1.259	0.001
H5	0.684	-2.041	0.015
H6	1.857	-1.073	-0.891
H7	1.880	-1.057	0.873
H8	1.887	1.343	-0.002
H9	0.328	2.096	-0.003

	C1	S2	C3	N4	H5	H6	H7	H8	H9
C1		1.6429	1.5073	1.3507	2.1377	2.1424	2.1434	2.0660	2.0404
S2	1.6429		2.7783	2.6339	2.8144	3.4782	3.4907	3.5613	2.7812
C3	1.5073	2.7783		2.3897	1.0824	1.0900	1.0900	2.5354	3.3264
N4	1.3507	2.6339	2.3897		3.3057	2.6791	2.6675	1.0049	1.0057
H5	2.1377	2.8144	1.0824	3.3057		1.7699	1.7702	3.5909	4.1520
H6	2.1424	3.4782	1.0900	2.6791	1.7699		1.7639	2.5743	3.6290
H7	2.1434	3.4907	1.0900	2.6675	1.7702	1.7639		2.5548	3.6222
H8	2.0660	3.5613	2.5354	1.0049	3.5909	2.5743	2.5548		1.7311
H9	2.0404	2.7812	3.3264	1.0057	4.1520	3.6290	3.6222	1.7311

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H5	110.190	C1	C3	H6	110.115
C1	C3	H7	110.193	C1	N4	H8	121.893
C1	N4	H9	119.247	S2	C1	C3	123.695
S2	C1	N4	122.950	C3	C1	N4	113.355
H5	C3	H6	109.121	H5	C3	H7	109.153
H6	C3	H7	108.027	H8	N4	H9	118.859

All results from a given calculation for CH₃CSNH₂ (Ethanethioamide)

using model chemistry: MP2=FULL/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: MP2=FULL/6-31G**

States and conformations

All results from a given calculation for CH₃CSNH₂ (Ethanethioamide)