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	hartrees
Energy at 0K	-529.105827
Energy at 298.15K
HF Energy	-528.983784
Nuclear repulsion energy	152.704586

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3639	3464	38.35
2	A	3509	3341	63.95
3	A	3213	3059	0.82
4	A	3121	2971	11.11
5	A	3068	2921	11.61
6	A	1707	1625	122.33
7	A	1575	1499	12.13
8	A	1564	1489	7.29
9	A	1469	1398	12.71
10	A	1421	1352	233.41
11	A	1347	1283	43.66
12	A	1093	1041	2.51
13	A	1069	1017	12.41
14	A	982	935	20.53
15	A	696	662	148.16
16	A	690	657	8.75
17	A	548	521	106.09
18	A	505	481	44.70
19	A	426	405	1.78
20	A	372	354	2.22
21	A	33	32	0.18

Atom	x (Å)	y (Å)	z (Å)
C1	0.306	0.064	0.000
S2	-1.398	-0.110	-0.000
C3	1.248	-1.125	-0.000
N4	0.906	1.270	-0.000
H5	0.674	-2.048	0.002
H6	1.888	-1.099	-0.889
H7	1.891	-1.098	0.887
H8	1.916	1.367	0.000
H9	0.333	2.108	-0.000

	C1	S2	C3	N4	H5	H6	H7	H8	H9
C1		1.7131	1.5166	1.3472	2.1434	2.1554	2.1555	2.0715	2.0438
S2	1.7131		2.8341	2.6860	2.8370	3.5450	3.5466	3.6285	2.8133
C3	1.5166	2.8341		2.4192	1.0868	1.0958	1.0958	2.5804	3.3593
N4	1.3472	2.6860	2.4192		3.3259	2.7144	2.7131	1.0144	1.0147
H5	2.1434	2.8370	1.0868	3.3259		1.7796	1.7797	3.6340	4.1691
H6	2.1554	3.5450	1.0958	2.7144	1.7796		1.7762	2.6223	3.6729
H7	2.1555	3.5466	1.0958	2.7131	1.7797	1.7762		2.6198	3.6721
H8	2.0715	3.6285	2.5804	1.0144	3.6340	2.6223	2.6198		1.7472
H9	2.0438	2.8133	3.3593	1.0147	4.1691	3.6729	3.6721	1.7472

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H5	109.729	C1	C3	H6	110.143
C1	C3	H7	110.152	C1	N4	H8	121.962
C1	N4	H9	119.166	S2	C1	C3	122.564
S2	C1	N4	122.274	C3	C1	N4	115.161
H5	C3	H6	109.251	H5	C3	H7	109.253
H6	C3	H7	108.284	H8	N4	H9	118.872

All results from a given calculation for CH₃CSNH₂ (Ethanethioamide)

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

States and conformations

All results from a given calculation for CH₃CSNH₂ (Ethanethioamide)