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	hartrees
Energy at 0K	-531.250615
Energy at 298.15K
HF Energy	-530.640421
Nuclear repulsion energy	154.340272

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3771	3607	46.84
2	A	3627	3470	81.37
3	A	3217	3078	2.12
4	A	3140	3004	12.64
5	A	3066	2933	18.61
6	A	1654	1582	209.44
7	A	1489	1425	39.99
8	A	1488	1423	8.72
9	A	1431	1369	188.53
10	A	1410	1349	123.95
11	A	1352	1293	15.48
12	A	1038	993	0.17
13	A	1032	987	39.90
14	A	1013	970	1.85
15	A	755	723	7.35
16	A	618	592	6.64
17	A	514	492	6.09
18	A	431	412	0.83
19	A	382	365	2.67
20	A	134	129	174.67
21	A	47	45	3.71

Atom	x (Å)	y (Å)	z (Å)
C1	0.273	0.060	-0.000
S2	-1.372	-0.116	0.000
C3	1.243	-1.109	0.000
N4	0.883	1.268	-0.004
H5	0.695	-2.060	-0.010
H6	1.899	-1.056	-0.889
H7	1.885	-1.067	0.900
H8	1.891	1.355	0.016
H9	0.316	2.107	0.009

	C1	S2	C3	N4	H5	H6	H7	H8	H9
C1		1.6548	1.5191	1.3525	2.1616	2.1636	2.1631	2.0718	2.0467
S2	1.6548		2.7973	2.6460	2.8370	3.5183	3.5101	3.5794	2.7915
C3	1.5191	2.7973		2.4035	1.0978	1.1061	1.1062	2.5471	3.3464
N4	1.3525	2.6460	2.4035		3.3326	2.6864	2.6966	1.0119	1.0127
H5	2.1616	2.8370	1.0978	3.3326		1.7975	1.7970	3.6178	4.1835
H6	2.1636	3.5183	1.1061	2.6864	1.7975		1.7890	2.5751	3.6495
H7	2.1631	3.5101	1.1062	2.6966	1.7970	1.7890		2.5780	3.6504
H8	2.0718	3.5794	2.5471	1.0119	3.6178	2.5751	2.5780		1.7451
H9	2.0467	2.7915	3.3464	1.0127	4.1835	3.6495	3.6504	1.7451

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H5	110.344	C1	C3	H6	110.016
C1	C3	H7	109.968	C1	N4	H8	121.722
C1	N4	H9	119.150	S2	C1	C3	123.551
S2	C1	N4	122.931	C3	C1	N4	113.518
H5	C3	H6	109.296	H5	C3	H7	109.242
H6	C3	H7	107.932	H8	N4	H9	119.084

All results from a given calculation for CH₃CSNH₂ (Ethanethioamide)

using model chemistry: CCD/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: CCD/cc-pVDZ

States and conformations

All results from a given calculation for CH₃CSNH₂ (Ethanethioamide)