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	hartrees
Energy at 0K	-528.478173
Energy at 298.15K
HF Energy	-528.028741
Nuclear repulsion energy	153.536099

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3625	3484	32.38
2	A	3498	3361	80.74
3	A	3159	3037	1.66
4	A	3081	2961	13.20
5	A	3026	2908	12.54
6	A	1713	1647	118.44
7	A	1567	1506	9.71
8	A	1562	1501	7.49
9	A	1460	1403	9.69
10	A	1402	1348	321.63
11	A	1336	1284	33.81
12	A	1089	1046	1.73
13	A	1058	1017	27.17
14	A	985	946	30.83
15	A	712	684	7.14
16	A	674	648	119.30
17	A	515	495	51.42
18	A	504	485	136.33
19	A	434	417	1.04
20	A	384	369	2.27
21	A	63	60	0.07

Atom	x (Å)	y (Å)	z (Å)
C1	0.276	0.067	-0.000
S2	-1.377	-0.116	0.000
C3	1.247	-1.125	-0.000
N4	0.889	1.279	0.000
H5	0.676	-2.056	-0.000
H6	1.887	-1.088	-0.895
H7	1.887	-1.088	0.895
H8	1.901	1.370	0.000
H9	0.321	2.122	-0.000

	C1	S2	C3	N4	H5	H6	H7	H8	H9
C1		1.6629	1.5376	1.3585	2.1605	2.1750	2.1750	2.0833	2.0555
S2	1.6629		2.8116	2.6611	2.8247	3.5215	3.5214	3.5991	2.8090
C3	1.5376	2.8116		2.4305	1.0927	1.1008	1.1008	2.5794	3.3764
N4	1.3585	2.6611	2.4305		3.3421	2.7201	2.7201	1.0159	1.0164
H5	2.1605	2.8247	1.0927	3.3421		1.7907	1.7907	3.6391	4.1932
H6	2.1750	3.5215	1.1008	2.7201	1.7907		1.7899	2.6159	3.6818
H7	2.1750	3.5214	1.1008	2.7201	1.7907	1.7899		2.6160	3.6818
H8	2.0833	3.5991	2.5794	1.0159	3.6391	2.6159	2.6160		1.7496
H9	2.0555	2.8090	3.3764	1.0164	4.1932	3.6818	3.6818	1.7496

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H5	109.278	C1	C3	H6	109.945
C1	C3	H7	109.944	C1	N4	H8	121.995
C1	N4	H9	119.175	S2	C1	C3	122.874
S2	C1	N4	123.150	C3	C1	N4	113.976
H5	C3	H6	109.441	H5	C3	H7	109.440
H6	C3	H7	108.777	H8	N4	H9	118.831

All results from a given calculation for CH₃CSNH₂ (Ethanethioamide)

using model chemistry: QCISD/3-21G*

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: QCISD/3-21G*

States and conformations

All results from a given calculation for CH₃CSNH₂ (Ethanethioamide)