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	hartrees
Energy at 0K	-531.434270
Energy at 298.15K
HF Energy	-530.659330
Nuclear repulsion energy	155.259029

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3800	3800	35.79
2	A	3673	3673	80.46
3	A	3220	3220	2.13
4	A	3141	3141	11.94
5	A	3076	3076	16.14
6	A	1729	1729	190.66
7	A	1526	1526	31.76
8	A	1523	1523	13.64
9	A	1454	1454	107.77
10	A	1435	1435	313.50
11	A	1380	1380	23.64
12	A	1057	1057	2.77
13	A	1049	1049	40.52
14	A	1038	1038	9.39
15	A	762	762	10.10
16	A	611	611	9.50
17	A	513	513	17.29
18	A	442	442	0.57
19	A	391	391	1.11
20	A	92	92	205.93
21	A	7	7	31.49

Atom	x (Å)	y (Å)	z (Å)
C1	0.271	0.060	-0.002
S2	-1.365	-0.116	0.001
C3	1.237	-1.103	0.000
N4	0.877	1.262	-0.011
H5	0.696	-2.044	-0.054
H6	1.919	-1.031	-0.853
H7	1.837	-1.089	0.916
H8	1.875	1.352	0.039
H9	0.318	2.094	0.026

	C1	S2	C3	N4	H5	H6	H7	H8	H9
C1		1.6455	1.5115	1.3456	2.1473	2.1516	2.1480	2.0592	2.0344
S2	1.6455		2.7820	2.6315	2.8223	3.5139	3.4686	3.5568	2.7779
C3	1.5115	2.7820		2.3920	1.0865	1.0947	1.0950	2.5364	3.3264
N4	1.3456	2.6315	2.3920		3.3110	2.6556	2.7031	1.0032	1.0032
H5	2.1473	2.8223	1.0865	3.3110		1.7775	1.7755	3.5954	4.1560
H6	2.1516	3.5139	1.0947	2.6556	1.7775		1.7718	2.5443	3.6196
H7	2.1480	3.4686	1.0950	2.7031	1.7755	1.7718		2.5939	3.6376
H8	2.0592	3.5568	2.5364	1.0032	3.5954	2.5443	2.5939		1.7252
H9	2.0344	2.7779	3.3264	1.0032	4.1560	3.6196	3.6376	1.7252

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H5	110.422	C1	C3	H6	110.266
C1	C3	H7	109.961	C1	N4	H8	121.818
C1	N4	H9	119.312	S2	C1	C3	123.518
S2	C1	N4	122.914	C3	C1	N4	113.567
H5	C3	H6	109.161	H5	C3	H7	108.955
H6	C3	H7	108.025	H8	N4	H9	118.593

All results from a given calculation for CH₃CSNH₂ (Ethanethioamide)

using model chemistry: MP3=FULL/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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All results from a given calculation for CH3CSNH2 (Ethanethioamide)

using model chemistry: MP3=FULL/6-311G*

States and conformations

All results from a given calculation for CH₃CSNH₂ (Ethanethioamide)