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	hartrees
Energy at 0K	-531.301913
Energy at 298.15K
HF Energy	-530.654219
Nuclear repulsion energy	153.870450

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3736	3736	41.09
2	A	3595	3595	68.65
3	A	3181	3181	2.54
4	A	3103	3103	9.92
5	A	3035	3035	19.44
6	A	1661	1661	167.48
7	A	1479	1479	6.89
8	A	1477	1477	25.69
9	A	1412	1412	78.99
10	A	1386	1386	270.04
11	A	1341	1341	21.93
12	A	1030	1030	0.91
13	A	1023	1023	43.11
14	A	1006	1006	5.64
15	A	737	737	8.73
16	A	609	609	4.78
17	A	509	509	5.67
18	A	424	424	0.86
19	A	377	377	2.18
20	A	299	299	162.00
21	A	56	56	0.01

Atom	x (Å)	y (Å)	z (Å)
C1	0.280	0.059	0.000
S2	-1.377	-0.116	-0.000
C3	1.245	-1.114	-0.000
N4	0.885	1.273	0.000
H5	0.689	-2.059	-0.000
H6	1.892	-1.070	-0.894
H7	1.892	-1.070	0.895
H8	1.893	1.363	-0.001
H9	0.317	2.110	-0.000

	C1	S2	C3	N4	H5	H6	H7	H8	H9
C1		1.6666	1.5191	1.3569	2.1567	2.1615	2.1614	2.0738	2.0516
S2	1.6666		2.8062	2.6551	2.8364	3.5212	3.5209	3.5887	2.7976
C3	1.5191	2.8062		2.4144	1.0960	1.1045	1.1045	2.5601	3.3551
N4	1.3569	2.6551	2.4144		3.3377	2.7024	2.7026	1.0112	1.0114
H5	2.1567	2.8364	1.0960	3.3377		1.7955	1.7955	3.6269	4.1853
H6	2.1615	3.5212	1.1045	2.7024	1.7955		1.7887	2.5914	3.6592
H7	2.1614	3.5209	1.1045	2.7026	1.7955	1.7887		2.5924	3.6596
H8	2.0738	3.5887	2.5601	1.0112	3.6269	2.5914	2.5924		1.7435
H9	2.0516	2.7976	3.3551	1.0114	4.1853	3.6592	3.6596	1.7435

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H5	110.064	C1	C3	H6	109.942
C1	C3	H7	109.938	C1	N4	H8	121.572
C1	N4	H9	119.342	S2	C1	C3	123.434
S2	C1	N4	122.508	C3	C1	N4	114.058
H5	C3	H6	109.359	H5	C3	H7	109.360
H6	C3	H7	108.146	H8	N4	H9	119.086

All results from a given calculation for CH₃CSNH₂ (Ethanethioamide)

using model chemistry: CCSD/daug-cc-pVDZ

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: CCSD/daug-cc-pVDZ

States and conformations

All results from a given calculation for CH₃CSNH₂ (Ethanethioamide)