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	hartrees
Energy at 0K	-531.178652
Energy at 298.15K
HF Energy	-530.608177
Nuclear repulsion energy	155.065563

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3769	3538	47.15
2	A	3644	3420	92.88
3	A	3247	3047	1.69
4	A	3166	2972	10.38
5	A	3100	2910	13.44
6	A	1700	1595	213.84
7	A	1545	1450	17.72
8	A	1544	1449	11.09
9	A	1469	1378	74.84
10	A	1451	1362	298.54
11	A	1382	1297	28.96
12	A	1074	1008	0.06
13	A	1057	993	34.26
14	A	1033	969	10.74
15	A	763	717	10.13
16	A	622	584	13.52
17	A	522	489	7.03
18	A	441	414	0.94
19	A	392	368	2.27
20	A	247	232	237.67
21	A	47	44	0.09

Atom	x (Å)	y (Å)	z (Å)
C1	0.273	0.059	-0.000
S2	-1.366	-0.114	-0.000
C3	1.235	-1.106	0.000
N4	0.880	1.262	0.001
H5	0.685	-2.045	-0.003
H6	1.880	-1.063	-0.885
H7	1.875	-1.066	0.889
H8	1.885	1.354	-0.002
H9	0.319	2.100	-0.000

	C1	S2	C3	N4	H5	H6	H7	H8	H9
C1		1.6481	1.5107	1.3474	2.1435	2.1504	2.1499	2.0679	2.0420
S2	1.6481		2.7834	2.6342	2.8163	3.4956	3.4925	3.5672	2.7826
C3	1.5107	2.7834		2.3943	1.0879	1.0960	1.0960	2.5449	3.3348
N4	1.3474	2.6342	2.3943		3.3122	2.6814	2.6829	1.0089	1.0093
H5	2.1435	2.8163	1.0879	3.3122		1.7803	1.7800	3.6047	4.1612
H6	2.1504	3.4956	1.0960	2.6814	1.7803		1.7739	2.5738	3.6373
H7	2.1499	3.4925	1.0960	2.6829	1.7800	1.7739		2.5796	3.6386
H8	2.0679	3.5672	2.5449	1.0089	3.6047	2.5738	2.5796		1.7349
H9	2.0420	2.7826	3.3348	1.0093	4.1612	3.6373	3.6386	1.7349

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H5	110.086	C1	C3	H6	110.150
C1	C3	H7	110.110	C1	N4	H8	122.051
C1	N4	H9	119.406	S2	C1	C3	123.505
S2	C1	N4	122.819	C3	C1	N4	113.676
H5	C3	H6	109.217	H5	C3	H7	109.185
H6	C3	H7	108.053	H8	N4	H9	118.542

All results from a given calculation for CH₃CSNH₂ (Ethanethioamide)

using model chemistry: MP3/6-31G*

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: MP3/6-31G*

States and conformations

All results from a given calculation for CH₃CSNH₂ (Ethanethioamide)