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	hartrees
Energy at 0K	-531.326358
Energy at 298.15K
HF Energy	-530.697308
Nuclear repulsion energy	156.296780

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3874	3589	56.85
2	A	3737	3463	87.00
3	A	3289	3047	1.67
4	A	3208	2973	9.56
5	A	3144	2913	14.37
6	A	1718	1592	195.62
7	A	1556	1442	9.34
8	A	1548	1434	20.63
9	A	1479	1370	64.70
10	A	1450	1343	308.81
11	A	1398	1296	31.83
12	A	1090	1010	1.24
13	A	1066	988	32.01
14	A	1045	968	25.26
15	A	771	715	13.16
16	A	650	603	9.43
17	A	544	504	2.01
18	A	444	411	1.11
19	A	391	362	3.29
20	A	350	324	176.61
21	A	39	37	0.08

Atom	x (Å)	y (Å)	z (Å)
C1	0.275	0.062	-0.007
S2	-1.356	-0.114	0.000
C3	1.225	-1.099	-0.000
N4	0.873	1.254	-0.001
H5	0.695	-2.018	-0.179
H6	1.993	-0.968	-0.755
H7	1.712	-1.156	0.967
H8	1.864	1.341	-0.002
H9	0.314	2.077	0.019

	C1	S2	C3	N4	H5	H6	H7	H8	H9
C1		1.6404	1.5003	1.3335	2.1287	2.1377	2.1205	2.0394	2.0162
S2	1.6404		2.7627	2.6149	2.8036	3.5371	3.3810	3.5329	2.7551
C3	1.5003	2.7627		2.3795	1.0762	1.0843	1.0846	2.5222	3.3051
N4	1.3335	2.6149	2.3795		3.2818	2.6001	2.7294	0.9948	0.9955
H5	2.1287	2.8036	1.0762	3.2818		1.7661	1.7589	3.5610	4.1180
H6	2.1377	3.5371	1.0843	2.6001	1.7661		1.7554	2.4323	3.5629
H7	2.1205	3.3810	1.0846	2.7294	1.7589	1.7554		2.6823	3.6481
H8	2.0394	3.5329	2.5222	0.9948	3.5610	2.4323	2.6823		1.7162
H9	2.0162	2.7551	3.3051	0.9955	4.1180	3.5629	3.6481	1.7162

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H5	110.337	C1	C3	H6	110.568
C1	C3	H7	109.178	C1	N4	H8	121.626
C1	N4	H9	119.212	S2	C1	C3	123.130
S2	C1	N4	122.777	C3	C1	N4	114.087
H5	C3	H6	109.664	H5	C3	H7	108.982
H6	C3	H7	108.063	H8	N4	H9	119.154

All results from a given calculation for CH₃CSNH₂ (Ethanethioamide)

using model chemistry: CID/cc-pVTZ

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/cc-pVTZ

States and conformations

All results from a given calculation for CH₃CSNH₂ (Ethanethioamide)