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	hartrees
Energy at 0K	-531.247363
Energy at 298.15K
HF Energy	-530.621514
Nuclear repulsion energy	155.430472

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3855	3855	46.16
2	A	3718	3718	90.36
3	A	3289	3289	2.58
4	A	3210	3210	12.35
5	A	3138	3138	15.56
6	A	1713	1713	200.63
7	A	1553	1553	18.38
8	A	1552	1552	8.84
9	A	1471	1471	52.03
10	A	1452	1452	321.67
11	A	1383	1383	25.46
12	A	1074	1074	0.00
13	A	1060	1060	38.06
14	A	1037	1037	9.37
15	A	765	765	9.43
16	A	623	623	13.23
17	A	523	523	5.84
18	A	441	441	0.78
19	A	391	391	2.16
20	A	272	272	218.51
21	A	46	46	0.06

Atom	x (Å)	y (Å)	z (Å)
C1	0.272	0.059	0.000
S2	-1.364	-0.113	-0.000
C3	1.231	-1.106	-0.000
N4	0.882	1.259	0.001
H5	0.686	-2.039	0.004
H6	1.867	-1.065	-0.884
H7	1.872	-1.061	0.879
H8	1.880	1.344	-0.004
H9	0.326	2.093	-0.002

	C1	S2	C3	N4	H5	H6	H7	H8	H9
C1		1.6445	1.5087	1.3463	2.1386	2.1419	2.1421	2.0591	2.0345
S2	1.6445		2.7783	2.6316	2.8129	3.4819	3.4850	3.5563	2.7783
C3	1.5087	2.7783		2.3899	1.0813	1.0893	1.0892	2.5342	3.3237
N4	1.3463	2.6316	2.3899		3.3039	2.6740	2.6707	1.0019	1.0023
H5	2.1386	2.8129	1.0813	3.3039		1.7696	1.7697	3.5881	4.1475
H6	2.1419	3.4819	1.0893	2.6740	1.7696		1.7628	2.5645	3.6220
H7	2.1421	3.4850	1.0892	2.6707	1.7697	1.7628		2.5619	3.6211
H8	2.0591	3.5563	2.5342	1.0019	3.5881	2.5645	2.5619		1.7253
H9	2.0345	2.7783	3.3237	1.0023	4.1475	3.6220	3.6211	1.7253

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H5	110.234	C1	C3	H6	110.019
C1	C3	H7	110.036	C1	N4	H8	121.849
C1	N4	H9	119.329	S2	C1	C3	123.496
S2	C1	N4	122.955	C3	C1	N4	113.549
H5	C3	H6	109.231	H5	C3	H7	109.246
H6	C3	H7	108.034	H8	N4	H9	118.820

All results from a given calculation for CH₃CSNH₂ (Ethanethioamide)

using model chemistry: MP3=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: MP3=FULL/6-31G**

States and conformations

All results from a given calculation for CH₃CSNH₂ (Ethanethioamide)