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	hartrees
Energy at 0K	-531.344539
Energy at 298.15K
HF Energy	-530.635467
Nuclear repulsion energy	155.406099

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3800	3599	53.84
2	A	3663	3470	97.09
3	A	3239	3068	0.87
4	A	3164	2997	6.13
5	A	3093	2930	10.33
6	A	1674	1585	193.57
7	A	1519	1439	8.47
8	A	1518	1438	26.53
9	A	1445	1369	155.99
10	A	1425	1350	200.11
11	A	1364	1292	30.92
12	A	1056	1001	0.03
13	A	1044	988	36.50
14	A	1021	967	9.83
15	A	755	716	9.97
16	A	635	601	8.00
17	A	529	501	2.79
18	A	434	411	1.01
19	A	383	363	2.81
20	A	314	297	177.72
21	A	48	45	0.30

Atom	x (Å)	y (Å)	z (Å)
C1	0.272	0.061	0.000
S2	-1.363	-0.118	0.000
C3	1.238	-1.101	0.000
N4	0.872	1.262	-0.001
H5	0.695	-2.042	0.007
H6	1.875	-1.058	-0.888
H7	1.885	-1.051	0.880
H8	1.872	1.353	0.003
H9	0.309	2.093	0.001

	C1	S2	C3	N4	H5	H6	H7	H8	H9
C1		1.6449	1.5112	1.3421	2.1450	2.1470	2.1476	2.0559	2.0321
S2	1.6449		2.7800	2.6268	2.8163	3.4860	3.4916	3.5534	2.7719
C3	1.5112	2.7800		2.3914	1.0857	1.0937	1.0937	2.5354	3.3269
N4	1.3421	2.6268	2.3914		3.3083	2.6787	2.6745	1.0035	1.0043
H5	2.1450	2.8163	1.0857	3.3083		1.7775	1.7777	3.5933	4.1527
H6	2.1470	3.4860	1.0937	2.6787	1.7775		1.7685	2.5713	3.6297
H7	2.1476	3.4916	1.0937	2.6745	1.7777	1.7685		2.5597	3.6255
H8	2.0559	3.5534	2.5354	1.0035	3.5933	2.5713	2.5597		1.7291
H9	2.0321	2.7719	3.3269	1.0043	4.1527	3.6297	3.6255	1.7291

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H5	110.293	C1	C3	H6	109.983
C1	C3	H7	110.031	C1	N4	H8	121.780
C1	N4	H9	119.308	S2	C1	C3	123.426
S2	C1	N4	122.820	C3	C1	N4	113.754
H5	C3	H6	109.291	H5	C3	H7	109.303
H6	C3	H7	107.897	H8	N4	H9	118.910

All results from a given calculation for CH₃CSNH₂ (Ethanethioamide)

using model chemistry: CCD/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: CCD/6-31G(2df,p)

States and conformations

All results from a given calculation for CH₃CSNH₂ (Ethanethioamide)