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	hartrees
Energy at 0K	-531.965987
Energy at 298.15K
HF Energy	-531.723498
Nuclear repulsion energy	154.806080

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3738	3738	30.87
2	A	3605	3605	52.62
3	A	3197	3197	3.32
4	A	3118	3118	16.87
5	A	3058	3058	20.48
6	A	1695	1695	155.55
7	A	1523	1523	12.68
8	A	1515	1515	12.79
9	A	1433	1433	42.76
10	A	1410	1410	247.52
11	A	1349	1349	45.26
12	A	1056	1056	1.99
13	A	1035	1035	18.42
14	A	1009	1009	19.91
15	A	739	739	7.58
16	A	623	623	13.34
17	A	503	503	14.39
18	A	435	435	0.77
19	A	382	382	1.07
20	A	265	265	216.98
21	A	51	51	0.03

Atom	x (Å)	y (Å)	z (Å)
C1	0.279	0.061	-0.012
S2	-1.369	-0.115	0.001
C3	1.237	-1.107	0.000
N4	0.881	1.266	-0.003
H5	0.729	-2.015	-0.308
H6	2.091	-0.931	-0.659
H7	1.619	-1.254	1.014
H8	1.883	1.362	0.004
H9	0.317	2.098	0.031

	C1	S2	C3	N4	H5	H6	H7	H8	H9
C1		1.6578	1.5103	1.3470	2.1447	2.1647	2.1390	2.0652	2.0379
S2	1.6578		2.7884	2.6403	2.8475	3.6159	3.3539	3.5716	2.7822
C3	1.5103	2.7884		2.3992	1.0852	1.0934	1.0934	2.5525	3.3345
N4	1.3470	2.6403	2.3992		3.2986	2.5925	2.8151	1.0059	1.0062
H5	2.1447	2.8475	1.0852	3.2986		1.7757	1.7663	3.5829	4.1476
H6	2.1647	3.6159	1.0934	2.5925	1.7757		1.7687	2.3970	3.5779
H7	2.1390	3.3539	1.0934	2.8151	1.7663	1.7687		2.8166	3.7272
H8	2.0652	3.5716	2.5525	1.0059	3.5829	2.3970	2.8166		1.7300
H9	2.0379	2.7822	3.3345	1.0062	4.1476	3.5779	3.7272	1.7300

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H5	110.370	C1	C3	H6	111.476
C1	C3	H7	109.430	C1	N4	H8	122.076
C1	N4	H9	119.293	S2	C1	C3	123.252
S2	C1	N4	122.639	C3	C1	N4	114.090
H5	C3	H6	109.190	H5	C3	H7	108.334
H6	C3	H7	107.956	H8	N4	H9	118.593

All results from a given calculation for CH₃CSNH₂ (Ethanethioamide)

using model chemistry: B2PLYP=FULLultrafine/6-311G*

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/6-311G*

States and conformations

All results from a given calculation for CH₃CSNH₂ (Ethanethioamide)