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	hartrees
Energy at 0K	-531.393189
Energy at 298.15K
HF Energy	-530.635694
Nuclear repulsion energy	155.915926

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3826	3826	54.51
2	A	3693	3693	97.95
3	A	3264	3264	0.73
4	A	3191	3191	5.25
5	A	3120	3120	9.49
6	A	1682	1682	198.65
7	A	1536	1536	8.95
8	A	1532	1532	29.02
9	A	1457	1457	175.08
10	A	1436	1436	171.04
11	A	1375	1375	28.67
12	A	1068	1068	0.08
13	A	1055	1055	34.82
14	A	1029	1029	6.59
15	A	765	765	8.93
16	A	645	645	9.05
17	A	538	538	2.28
18	A	438	438	1.02
19	A	387	387	2.72
20	A	344	344	176.88
21	A	69	69	0.35

Atom	x (Å)	y (Å)	z (Å)
C1	0.271	0.061	0.000
S2	-1.358	-0.117	0.000
C3	1.232	-1.098	0.000
N4	0.871	1.257	-0.000
H5	0.691	-2.036	0.002
H6	1.871	-1.054	-0.883
H7	1.873	-1.052	0.881
H8	1.868	1.348	0.000
H9	0.310	2.087	0.000

	C1	S2	C3	N4	H5	H6	H7	H8	H9
C1		1.6390	1.5056	1.3384	2.1382	2.1399	2.1401	2.0507	2.0270
S2	1.6390		2.7700	2.6184	2.8073	3.4758	3.4771	3.5427	2.7641
C3	1.5056	2.7700		2.3833	1.0827	1.0904	1.0904	2.5273	3.3165
N4	1.3384	2.6184	2.3833		3.2982	2.6684	2.6673	1.0011	1.0018
H5	2.1382	2.8073	1.0827	3.2982		1.7717	1.7717	3.5825	4.1409
H6	2.1399	3.4758	1.0904	2.6684	1.7717		1.7639	2.5587	3.6169
H7	2.1401	3.4771	1.0904	2.6673	1.7717	1.7639		2.5563	3.6160
H8	2.0507	3.5427	2.5273	1.0011	3.5825	2.5587	2.5563		1.7246
H9	2.0270	2.7641	3.3165	1.0018	4.1409	3.6169	3.6160	1.7246

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H5	110.339	C1	C3	H6	110.011
C1	C3	H7	110.022	C1	N4	H8	121.790
C1	N4	H9	119.338	S2	C1	C3	123.441
S2	C1	N4	122.830	C3	C1	N4	113.729
H5	C3	H6	109.231	H5	C3	H7	109.231
H6	C3	H7	107.964	H8	N4	H9	118.872

All results from a given calculation for CH₃CSNH₂ (Ethanethioamide)

using model chemistry: MP3=FULL/6-31G(2df,p)

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/6-31G(2df,p)

States and conformations

All results from a given calculation for CH₃CSNH₂ (Ethanethioamide)