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	hartrees
Energy at 0K	-528.307976
Energy at 298.15K
HF Energy	-527.927220
Nuclear repulsion energy	151.787649

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3618	3507	34.23
2	A	3492	3385	84.61
3	A	3161	3063	1.34
4	A	3076	2981	12.92
5	A	3023	2930	12.81
6	A	1719	1667	123.35
7	A	1567	1518	10.36
8	A	1558	1510	6.95
9	A	1465	1420	10.44
10	A	1413	1369	278.67
11	A	1345	1304	36.73
12	A	1088	1055	1.62
13	A	1067	1034	18.71
14	A	967	937	28.99
15	A	697	675	153.31
16	A	669	648	12.44
17	A	546	529	112.00
18	A	502	487	42.18
19	A	427	414	1.79
20	A	370	358	2.47
21	A	54	53	0.07

Atom	x (Å)	y (Å)	z (Å)
C1	0.310	0.067	0.000
S2	-1.410	-0.112	0.000
C3	1.261	-1.129	-0.000
N4	0.911	1.275	0.000
H5	0.683	-2.056	0.000
H6	1.903	-1.100	-0.894
H7	1.904	-1.099	0.894
H8	1.922	1.375	0.000
H9	0.337	2.114	-0.000

	C1	S2	C3	N4	H5	H6	H7	H8	H9
C1		1.7288	1.5279	1.3492	2.1552	2.1676	2.1676	2.0763	2.0477
S2	1.7288		2.8578	2.7031	2.8562	3.5706	3.5709	3.6486	2.8296
C3	1.5279	2.8578		2.4291	1.0926	1.1012	1.1012	2.5896	3.3723
N4	1.3492	2.7031	2.4291		3.3385	2.7245	2.7243	1.0166	1.0168
H5	2.1552	2.8562	1.0926	3.3385		1.7897	1.7897	3.6478	4.1845
H6	2.1676	3.5706	1.1012	2.7245	1.7897		1.7881	2.6313	3.6854
H7	2.1676	3.5709	1.1012	2.7243	1.7897	1.7881		2.6309	3.6853
H8	2.0763	3.6486	2.5896	1.0166	3.6478	2.6313	2.6309		1.7493
H9	2.0477	2.8296	3.3723	1.0168	4.1845	3.6854	3.6853	1.7493

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H5	109.541	C1	C3	H6	110.014
C1	C3	H7	110.016	C1	N4	H8	122.091
C1	N4	H9	119.209	S2	C1	C3	122.573
S2	C1	N4	122.374	C3	C1	N4	115.053
H5	C3	H6	109.341	H5	C3	H7	109.340
H6	C3	H7	108.568	H8	N4	H9	118.700

All results from a given calculation for CH₃CSNH₂ (Ethanethioamide)

using model chemistry: QCISD/3-21G

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: QCISD/3-21G

States and conformations

All results from a given calculation for CH₃CSNH₂ (Ethanethioamide)