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	hartrees
Energy at 0K	-531.210968
Energy at 298.15K
HF Energy	-530.607948
Nuclear repulsion energy	154.825140

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3734	3546	42.85
2	A	3606	3425	86.39
3	A	3216	3055	2.09
4	A	3135	2977	11.85
5	A	3071	2916	14.87
6	A	1690	1606	193.13
7	A	1536	1459	15.10
8	A	1536	1459	10.62
9	A	1462	1389	67.14
10	A	1441	1369	267.15
11	A	1373	1304	32.16
12	A	1069	1015	0.08
13	A	1053	1000	30.13
14	A	1026	974	10.47
15	A	751	713	9.56
16	A	620	589	13.50
17	A	520	494	5.63
18	A	438	416	0.88
19	A	389	370	2.09
20	A	240	228	236.20
21	A	45	42	0.16

Atom	x (Å)	y (Å)	z (Å)
C1	0.275	0.058	-0.001
S2	-1.369	-0.114	0.000
C3	1.237	-1.106	0.000
N4	0.883	1.262	0.000
H5	0.687	-2.048	-0.006
H6	1.886	-1.062	-0.884
H7	1.875	-1.068	0.892
H8	1.889	1.356	-0.002
H9	0.320	2.103	0.001

	C1	S2	C3	N4	H5	H6	H7	H8	H9
C1		1.6529	1.5105	1.3483	2.1460	2.1519	2.1510	2.0711	2.0447
S2	1.6529		2.7883	2.6387	2.8228	3.5033	3.4971	3.5744	2.7867
C3	1.5105	2.7883		2.3947	1.0897	1.0978	1.0978	2.5472	3.3374
N4	1.3483	2.6387	2.3947		3.3152	2.6812	2.6852	1.0111	1.0115
H5	2.1460	2.8228	1.0897	3.3152		1.7827	1.7823	3.6092	4.1664
H6	2.1519	3.5033	1.0978	2.6812	1.7827		1.7767	2.5738	3.6400
H7	2.1510	3.4971	1.0978	2.6852	1.7823	1.7767		2.5835	3.6422
H8	2.0711	3.5744	2.5472	1.0111	3.6092	2.5738	2.5835		1.7380
H9	2.0447	2.7867	3.3374	1.0115	4.1664	3.6400	3.6422	1.7380

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H5	110.189	C1	C3	H6	110.172
C1	C3	H7	110.102	C1	N4	H8	122.112
C1	N4	H9	119.422	S2	C1	C3	123.563
S2	C1	N4	122.774	C3	C1	N4	113.662
H5	C3	H6	109.169	H5	C3	H7	109.128
H6	C3	H7	108.039	H8	N4	H9	118.466

All results from a given calculation for CH₃CSNH₂ (Ethanethioamide)

using model chemistry: CCSD=FULL/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: CCSD=FULL/6-31G*

States and conformations

All results from a given calculation for CH₃CSNH₂ (Ethanethioamide)