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	hartrees
Energy at 0K	-531.197692
Energy at 298.15K
HF Energy	-530.655446
Nuclear repulsion energy	154.977815

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3847	3847	52.10
2	A	3706	3706	82.25
3	A	3275	3275	2.05
4	A	3192	3192	8.95
5	A	3123	3123	17.09
6	A	1714	1714	191.08
7	A	1524	1524	7.53
8	A	1520	1520	29.80
9	A	1461	1461	76.91
10	A	1430	1430	310.09
11	A	1384	1384	30.30
12	A	1065	1065	0.49
13	A	1056	1056	45.81
14	A	1039	1039	11.98
15	A	763	763	13.80
16	A	636	636	7.35
17	A	534	534	3.32
18	A	439	439	1.07
19	A	390	390	2.83
20	A	367	367	170.80
21	A	56	56	0.01

Atom	x (Å)	y (Å)	z (Å)
C1	0.279	0.060	-0.000
S2	-1.367	-0.116	-0.000
C3	1.237	-1.107	0.000
N4	0.877	1.265	0.001
H5	0.687	-2.045	-0.007
H6	1.885	-1.057	-0.883
H7	1.874	-1.064	0.892
H8	1.877	1.355	-0.006
H9	0.314	2.095	-0.002

	C1	S2	C3	N4	H5	H6	H7	H8	H9
C1		1.6554	1.5105	1.3448	2.1445	2.1471	2.1462	2.0566	2.0347
S2	1.6554		2.7866	2.6353	2.8175	3.4993	3.4928	3.5619	2.7775
C3	1.5105	2.7866		2.3986	1.0878	1.0966	1.0966	2.5437	3.3322
N4	1.3448	2.6353	2.3986		3.3150	2.6813	2.6852	1.0032	1.0034
H5	2.1445	2.8175	1.0878	3.3150		1.7832	1.7831	3.6023	4.1565
H6	2.1471	3.4993	1.0966	2.6813	1.7832		1.7751	2.5671	3.6307
H7	2.1462	3.4928	1.0966	2.6852	1.7831	1.7751		2.5809	3.6351
H8	2.0566	3.5619	2.5437	1.0032	3.6023	2.5671	2.5809		1.7288
H9	2.0347	2.7775	3.3322	1.0034	4.1565	3.6307	3.6351	1.7288

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H5	110.185	C1	C3	H6	109.873
C1	C3	H7	109.800	C1	N4	H8	121.621
C1	N4	H9	119.396	S2	C1	C3	123.273
S2	C1	N4	122.560	C3	C1	N4	114.166
H5	C3	H6	109.440	H5	C3	H7	109.431
H6	C3	H7	108.077	H8	N4	H9	118.979

All results from a given calculation for CH₃CSNH₂ (Ethanethioamide)

using model chemistry: CID/daug-cc-pVDZ

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: CID/daug-cc-pVDZ

States and conformations

All results from a given calculation for CH₃CSNH₂ (Ethanethioamide)