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	hartrees
Energy at 0K	-531.728030
Energy at 298.15K
HF Energy	-531.606780
Nuclear repulsion energy	152.514066

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3729	3729	32.41
2	A	3590	3590	58.71
3	A	3205	3205	2.57
4	A	3127	3127	16.32
5	A	3060	3060	19.14
6	A	1715	1715	142.12
7	A	1552	1552	10.02
8	A	1539	1539	8.41
9	A	1471	1471	15.48
10	A	1433	1433	231.64
11	A	1367	1367	63.36
12	A	1094	1094	3.19
13	A	1062	1062	11.51
14	A	1007	1007	24.00
15	A	708	708	54.15
16	A	703	703	156.29
17	A	541	541	99.45
18	A	502	502	33.56
19	A	433	433	1.67
20	A	377	377	2.07
21	A	53	53	0.12

Atom	x (Å)	y (Å)	z (Å)
C1	0.308	0.061	-0.012
S2	-1.400	-0.107	0.000
C3	1.245	-1.126	0.000
N4	0.912	1.273	0.002
H5	0.739	-2.004	-0.399
H6	2.149	-0.933	-0.589
H7	1.549	-1.348	1.030
H8	1.916	1.372	-0.014
H9	0.345	2.108	0.023

	C1	S2	C3	N4	H5	H6	H7	H8	H9
C1		1.7159	1.5122	1.3547	2.1445	2.1705	2.1477	2.0756	2.0480
S2	1.7159		2.8343	2.6922	2.8871	3.6914	3.3614	3.6311	2.8194
C3	1.5122	2.8343		2.4224	1.0888	1.0969	1.0968	2.5875	3.3572
N4	1.3547	2.6922	2.4224		3.3062	2.5977	2.8870	1.0094	1.0094
H5	2.1445	2.8871	1.0888	3.3062		1.7807	1.7690	3.5965	4.1525
H6	2.1705	3.6914	1.0969	2.5977	1.7807		1.7765	2.3878	3.5887
H7	2.1477	3.3614	1.0968	2.8870	1.7690	1.7765		2.9371	3.7959
H8	2.0756	3.6311	2.5875	1.0094	3.5965	2.3878	2.9371		1.7354
H9	2.0480	2.8194	3.3572	1.0094	4.1525	3.5887	3.7959	1.7354

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H5	110.011	C1	C3	H6	111.602
C1	C3	H7	109.784	C1	N4	H8	122.114
C1	N4	H9	119.337	S2	C1	C3	122.682
S2	C1	N4	122.071	C3	C1	N4	115.225
H5	C3	H6	109.123	H5	C3	H7	108.076
H6	C3	H7	108.159	H8	N4	H9	118.549

All results from a given calculation for CH₃CSNH₂ (Ethanethioamide)

using model chemistry: B2PLYP=FULLultrafine/6-31G

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/6-31G

States and conformations

All results from a given calculation for CH₃CSNH₂ (Ethanethioamide)