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	hartrees
Energy at 0K	-531.476142
Energy at 298.15K
HF Energy	-530.669977
Nuclear repulsion energy	155.278081

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3799	3799	40.10
2	A	3673	3673	84.45
3	A	3227	3227	2.67
4	A	3152	3152	13.12
5	A	3086	3086	16.28
6	A	1684	1684	186.92
7	A	1510	1510	22.03
8	A	1509	1509	20.69
9	A	1440	1440	91.59
10	A	1426	1426	303.75
11	A	1368	1368	17.23
12	A	1056	1056	11.51
13	A	1039	1039	38.47
14	A	1031	1031	3.98
15	A	764	764	8.12
16	A	601	601	11.33
17	A	505	505	13.03
18	A	440	440	0.68
19	A	387	387	1.04
20	A	219	219	224.76
21	A	52	52	0.89

Atom	x (Å)	y (Å)	z (Å)
C1	0.270	0.060	-0.009
S2	-1.364	-0.114	0.002
C3	1.233	-1.106	0.001
N4	0.882	1.262	-0.025
H5	0.706	-2.034	-0.204
H6	2.019	-0.959	-0.747
H7	1.706	-1.177	0.986
H8	1.877	1.338	0.083
H9	0.324	2.091	0.069

	C1	S2	C3	N4	H5	H6	H7	H8	H9
C1		1.6426	1.5126	1.3484	2.1483	2.1549	2.1412	2.0558	2.0330
S2	1.6426		2.7796	2.6337	2.8307	3.5661	3.3946	3.5524	2.7775
C3	1.5126	2.7796		2.3934	1.0870	1.0947	1.0952	2.5289	3.3243
N4	1.3484	2.6337	2.3934		3.3053	2.5971	2.7653	1.0040	1.0042
H5	2.1483	2.8307	1.0870	3.3053		1.7818	1.7753	3.5816	4.1519
H6	2.1549	3.5661	1.0947	2.5971	1.7818		1.7743	2.4468	3.5834
H7	2.1412	3.3946	1.0952	2.7653	1.7753	1.7743		2.6777	3.6651
H8	2.0558	3.5524	2.5289	1.0040	3.5816	2.4468	2.6777		1.7263
H9	2.0330	2.7775	3.3243	1.0042	4.1519	3.5834	3.6651	1.7263

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H5	110.390	C1	C3	H6	110.451
C1	C3	H7	109.337	C1	N4	H8	121.129
C1	N4	H9	118.839	S2	C1	C3	123.463
S2	C1	N4	123.108	C3	C1	N4	113.428
H5	C3	H6	109.508	H5	C3	H7	108.881
H6	C3	H7	108.228	H8	N4	H9	118.548

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)