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	hartrees
Energy at 0K	-528.418634
Energy at 298.15K
HF Energy	-528.030085
Nuclear repulsion energy	154.493853

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3726	3482	42.97
2	A	3601	3365	86.66
3	A	3247	3034	1.13
4	A	3165	2958	11.15
5	A	3110	2906	10.68
6	A	1758	1643	138.80
7	A	1602	1497	10.96
8	A	1596	1491	9.47
9	A	1500	1402	11.98
10	A	1445	1350	379.71
11	A	1379	1289	37.19
12	A	1120	1046	2.93
13	A	1089	1017	28.40
14	A	1017	950	40.19
15	A	737	689	9.80
16	A	708	662	160.18
17	A	552	516	119.39
18	A	529	494	45.98
19	A	447	418	1.10
20	A	395	369	2.51
21	A	67	62	0.13

Atom	x (Å)	y (Å)	z (Å)
C1	0.275	0.067	-0.000
S2	-1.369	-0.115	0.000
C3	1.238	-1.119	0.000
N4	0.884	1.270	0.000
H5	0.673	-2.046	-0.001
H6	1.876	-1.080	-0.888
H7	1.874	-1.081	0.890
H8	1.889	1.360	-0.000
H9	0.322	2.109	-0.000

	C1	S2	C3	N4	H5	H6	H7	H8	H9
C1		1.6536	1.5284	1.3485	2.1505	2.1607	2.1607	2.0686	2.0424
S2	1.6536		2.7937	2.6448	2.8101	3.4995	3.4987	3.5766	2.7941
C3	1.5284	2.7937		2.4154	1.0859	1.0941	1.0941	2.5636	3.3556
N4	1.3485	2.6448	2.4154		3.3230	2.7012	2.7019	1.0091	1.0097
H5	2.1505	2.8101	1.0859	3.3230		1.7797	1.7797	3.6172	4.1699
H6	2.1607	3.4995	1.0941	2.7012	1.7797		1.7780	2.5973	3.6570
H7	2.1607	3.4987	1.0941	2.7019	1.7797	1.7780		2.5987	3.6575
H8	2.0686	3.5766	2.5636	1.0091	3.6172	2.5973	2.5987		1.7365
H9	2.0424	2.7941	3.3556	1.0097	4.1699	3.6570	3.6575	1.7365

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H5	109.530	C1	C3	H6	109.853
C1	C3	H7	109.848	C1	N4	H8	122.003
C1	N4	H9	119.317	S2	C1	C3	122.752
S2	C1	N4	123.203	C3	C1	N4	114.045
H5	C3	H6	109.451	H5	C3	H7	109.449
H6	C3	H7	108.693	H8	N4	H9	118.681

All results from a given calculation for CH₃CSNH₂ (Ethanethioamide)

using model chemistry: CISD/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: CISD/3-21G*

States and conformations

All results from a given calculation for CH₃CSNH₂ (Ethanethioamide)