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	hartrees
Energy at 0K	-531.965804
Energy at 298.15K
HF Energy	-531.741154
Nuclear repulsion energy	154.836885

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3723	3723	41.97
2	A	3588	3588	57.56
3	A	3185	3185	2.79
4	A	3124	3124	13.98
5	A	3059	3059	19.08
6	A	1655	1655	159.21
7	A	1508	1508	10.16
8	A	1492	1492	12.66
9	A	1423	1423	21.30
10	A	1392	1392	250.07
11	A	1337	1337	39.77
12	A	1055	1055	1.51
13	A	1027	1027	17.58
14	A	994	994	25.71
15	A	740	740	5.69
16	A	620	620	8.88
17	A	493	493	14.42
18	A	436	436	0.97
19	A	377	377	2.04
20	A	278	278	174.66
21	A	68	68	1.03

Atom	x (Å)	y (Å)	z (Å)
C1	0.283	0.061	-0.014
S2	-1.368	-0.112	0.001
C3	1.232	-1.110	0.000
N4	0.885	1.266	-0.002
H5	0.785	-1.956	-0.510
H6	2.187	-0.867	-0.469
H7	1.423	-1.403	1.034
H8	1.886	1.362	-0.002
H9	0.317	2.096	0.037

	C1	S2	C3	N4	H5	H6	H7	H8	H9
C1		1.6603	1.5073	1.3470	2.1369	2.1662	2.1310	2.0640	2.0363
S2	1.6603		2.7848	2.6408	2.8799	3.6643	3.2439	3.5719	2.7779
C3	1.5073	2.7848		2.4017	1.0848	1.0914	1.0912	2.5569	3.3349
N4	1.3470	2.6408	2.4017		3.2638	2.5428	2.9139	1.0058	1.0066
H5	2.1369	2.8799	1.0848	3.2638		1.7761	1.7599	3.5328	4.1161
H6	2.1662	3.6643	1.0914	2.5428	1.7761		1.7692	2.2972	3.5408
H7	2.1310	3.2439	1.0912	2.9139	1.7599	1.7692		2.9889	3.8035
H8	2.0640	3.5719	2.5569	1.0058	3.5328	2.2972	2.9889		1.7330
H9	2.0363	2.7779	3.3349	1.0066	4.1161	3.5408	3.8035	1.7330

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H5	109.988	C1	C3	H6	111.941
C1	C3	H7	109.140	C1	N4	H8	121.959
C1	N4	H9	119.106	S2	C1	C3	123.012
S2	C1	N4	122.492	C3	C1	N4	114.471
H5	C3	H6	109.407	H5	C3	H7	107.958
H6	C3	H7	108.308	H8	N4	H9	118.906

All results from a given calculation for CH₃CSNH₂ (Ethanethioamide)

using model chemistry: B2PLYP=FULLultrafine/TZVP

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/TZVP

States and conformations

All results from a given calculation for CH₃CSNH₂ (Ethanethioamide)