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	hartrees
Energy at 0K	-529.105826
Energy at 298.15K
HF Energy	-528.983782
Nuclear repulsion energy	152.703232

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3639	3639	38.31
2	A	3510	3510	64.01
3	A	3213	3213	0.82
4	A	3121	3121	11.11
5	A	3068	3068	11.62
6	A	1707	1707	122.41
7	A	1575	1575	12.14
8	A	1564	1564	7.33
9	A	1468	1468	12.71
10	A	1421	1421	233.35
11	A	1347	1347	43.69
12	A	1093	1093	2.51
13	A	1068	1068	12.41
14	A	981	981	20.44
15	A	695	695	148.11
16	A	690	690	8.75
17	A	547	547	106.29
18	A	504	504	44.55
19	A	426	426	1.79
20	A	372	372	2.21
21	A	36	36	0.18

Atom	x (Å)	y (Å)	z (Å)
C1	0.306	0.064	0.000
S2	-1.398	-0.109	-0.000
C3	1.248	-1.125	-0.000
N4	0.907	1.270	0.000
H5	0.673	-2.048	0.001
H6	1.888	-1.099	-0.889
H7	1.890	-1.098	0.888
H8	1.917	1.367	0.000
H9	0.334	2.108	-0.000

	C1	S2	C3	N4	H5	H6	H7	H8	H9
C1		1.7132	1.5166	1.3472	2.1434	2.1554	2.1555	2.0714	2.0438
S2	1.7132		2.8340	2.6862	2.8368	3.5454	3.5461	3.6286	2.8137
C3	1.5166	2.8340		2.4192	1.0868	1.0958	1.0958	2.5802	3.3593
N4	1.3472	2.6862	2.4192		3.3258	2.7140	2.7134	1.0144	1.0147
H5	2.1434	2.8368	1.0868	3.3258		1.7797	1.7797	3.6338	4.1691
H6	2.1554	3.5454	1.0958	2.7140	1.7797		1.7762	2.6214	3.6726
H7	2.1555	3.5461	1.0958	2.7134	1.7797	1.7762		2.6202	3.6723
H8	2.0714	3.6286	2.5802	1.0144	3.6338	2.6214	2.6202		1.7472
H9	2.0438	2.8137	3.3593	1.0147	4.1691	3.6726	3.6723	1.7472

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H5	109.729	C1	C3	H6	110.145
C1	C3	H7	110.150	C1	N4	H8	121.955
C1	N4	H9	119.172	S2	C1	C3	122.554
S2	C1	N4	122.287	C3	C1	N4	115.158
H5	C3	H6	109.253	H5	C3	H7	109.253
H6	C3	H7	108.283	H8	N4	H9	118.873

All results from a given calculation for CH₃CSNH₂ (Ethanethioamide)

using model chemistry: B2PLYP=FULLultrafine/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: B2PLYP=FULLultrafine/3-21G

States and conformations

All results from a given calculation for CH₃CSNH₂ (Ethanethioamide)