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	hartrees
Energy at 0K	-531.389441
Energy at 298.15K
HF Energy	-530.677385
Nuclear repulsion energy	155.291716

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3788	3537	41.46
2	A	3659	3416	77.21
3	A	3227	3013	3.01
4	A	3158	2949	13.19
5	A	3091	2886	16.73
6	A	1686	1575	175.66
7	A	1514	1413	17.75
8	A	1509	1409	13.36
9	A	1447	1351	20.92
10	A	1417	1323	359.03
11	A	1369	1278	18.13
12	A	1066	996	5.25
13	A	1040	971	21.05
14	A	1025	957	36.64
15	A	761	711	6.51
16	A	607	567	14.62
17	A	492	459	13.34
18	A	441	411	2.23
19	A	386	361	2.64
20	A	300	280	216.21
21	A	75	70	4.36

Atom	x (Å)	y (Å)	z (Å)
C1	0.276	0.060	-0.011
S2	-1.364	-0.113	0.002
C3	1.231	-1.106	0.001
N4	0.883	1.263	-0.029
H5	0.737	-1.996	-0.370
H6	2.111	-0.898	-0.609
H7	1.559	-1.294	1.024
H8	1.875	1.342	0.096
H9	0.321	2.086	0.086

	C1	S2	C3	N4	H5	H6	H7	H8	H9
C1		1.6490	1.5076	1.3469	2.1381	2.1547	2.1335	2.0521	2.0282
S2	1.6490		2.7785	2.6347	2.8462	3.6144	3.3137	3.5520	2.7712
C3	1.5076	2.7785		2.3942	1.0834	1.0904	1.0909	2.5329	3.3201
N4	1.3469	2.6347	2.3942		3.2799	2.5519	2.8463	1.0032	1.0034
H5	2.1381	2.8462	1.0834	3.2799		1.7748	1.7639	3.5573	4.1285
H6	2.1547	3.6144	1.0904	2.5519	1.7748		1.7687	2.3599	3.5482
H7	2.1335	3.3137	1.0909	2.8463	1.7639	1.7687		2.8121	3.7196
H8	2.0521	3.5520	2.5329	1.0032	3.5573	2.3599	2.8121		1.7233
H9	2.0282	2.7712	3.3201	1.0034	4.1285	3.5482	3.7196	1.7233

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H5	110.143	C1	C3	H6	111.050
C1	C3	H7	109.336	C1	N4	H8	120.969
C1	N4	H9	118.569	S2	C1	C3	123.275
S2	C1	N4	122.828	C3	C1	N4	113.897
H5	C3	H6	109.457	H5	C3	H7	108.435
H6	C3	H7	108.360	H8	N4	H9	118.370

All results from a given calculation for CH₃CSNH₂ (Ethanethioamide)

using model chemistry: MP3=FULL/TZVP

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/TZVP

States and conformations

All results from a given calculation for CH₃CSNH₂ (Ethanethioamide)