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	hartrees
Energy at 0K	-531.105194
Energy at 298.15K
HF Energy	-530.608716
Nuclear repulsion energy	155.456502

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3832	3548	53.86
2	A	3704	3429	94.43
3	A	3295	3050	1.93
4	A	3216	2977	11.88
5	A	3149	2916	13.80
6	A	1735	1606	206.91
7	A	1575	1458	10.76
8	A	1570	1454	17.15
9	A	1501	1389	46.09
10	A	1472	1363	321.13
11	A	1407	1303	44.69
12	A	1099	1017	1.56
13	A	1077	997	27.90
14	A	1050	972	23.42
15	A	770	713	14.78
16	A	646	599	18.07
17	A	536	496	3.48
18	A	450	416	1.07
19	A	397	367	2.65
20	A	320	296	244.42
21	A	41	38	0.06

Atom	x (Å)	y (Å)	z (Å)
C1	0.275	0.061	-0.008
S2	-1.363	-0.115	0.000
C3	1.233	-1.103	0.000
N4	0.877	1.258	-0.001
H5	0.701	-2.029	-0.182
H6	2.005	-0.972	-0.761
H7	1.724	-1.163	0.974
H8	1.877	1.353	0.000
H9	0.317	2.093	0.019

	C1	S2	C3	N4	H5	H6	H7	H8	H9
C1		1.6478	1.5072	1.3405	2.1395	2.1507	2.1350	2.0580	2.0325
S2	1.6478		2.7781	2.6277	2.8210	3.5577	3.4019	3.5570	2.7742
C3	1.5072	2.7781		2.3878	1.0836	1.0913	1.0915	2.5384	3.3241
N4	1.3405	2.6277	2.3878		3.2968	2.6126	2.7439	1.0043	1.0049
H5	2.1395	2.8210	1.0836	3.2968		1.7747	1.7693	3.5848	4.1440
H6	2.1507	3.5577	1.0913	2.6126	1.7747		1.7674	2.4502	3.5849
H7	2.1350	3.4019	1.0915	2.7439	1.7693	1.7674		2.7018	3.6725
H8	2.0580	3.5570	2.5384	1.0043	3.5848	2.4502	2.7018		1.7265
H9	2.0325	2.7742	3.3241	1.0049	4.1440	3.5849	3.6725	1.7265

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H5	110.271	C1	C3	H6	110.702
C1	C3	H7	109.444	C1	N4	H8	122.078
C1	N4	H9	119.437	S2	C1	C3	123.361
S2	C1	N4	122.794	C3	C1	N4	113.837
H5	C3	H6	109.366	H5	C3	H7	108.871
H6	C3	H7	108.137	H8	N4	H9	118.476

All results from a given calculation for CH₃CSNH₂ (Ethanethioamide)

using model chemistry: CISD/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: CISD/6-31G*

States and conformations

All results from a given calculation for CH₃CSNH₂ (Ethanethioamide)