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	hartrees
Energy at 0K	-528.257334
Energy at 298.15K
HF Energy	-527.928766
Nuclear repulsion energy	153.028038

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3716	3462	45.54
2	A	3593	3347	96.20
3	A	3246	3024	0.83
4	A	3158	2942	10.73
5	A	3105	2892	10.38
6	A	1764	1644	147.91
7	A	1599	1490	11.75
8	A	1591	1482	10.27
9	A	1502	1399	12.71
10	A	1456	1357	352.74
11	A	1391	1296	49.42
12	A	1118	1041	2.85
13	A	1097	1022	19.99
14	A	1001	932	47.58
15	A	740	689	199.35
16	A	704	656	22.13
17	A	589	548	91.52
18	A	527	491	32.05
19	A	443	413	2.10
20	A	384	357	3.09
21	A	52	48	0.11

Atom	x (Å)	y (Å)	z (Å)
C1	0.305	0.068	0.000
S2	-1.396	-0.111	-0.000
C3	1.249	-1.122	-0.000
N4	0.903	1.265	0.000
H5	0.676	-2.044	0.000
H6	1.888	-1.091	-0.889
H7	1.888	-1.091	0.888
H8	1.908	1.363	-0.001
H9	0.337	2.102	-0.000

	C1	S2	C3	N4	H5	H6	H7	H8	H9
C1		1.7108	1.5192	1.3378	2.1453	2.1543	2.1542	2.0605	2.0340
S2	1.7108		2.8321	2.6796	2.8345	3.5408	3.5411	3.6183	2.8111
C3	1.5192	2.8321		2.4120	1.0861	1.0949	1.0949	2.5704	3.3506
N4	1.3378	2.6796	2.4120		3.3175	2.7045	2.7041	1.0101	1.0104
H5	2.1453	2.8345	1.0861	3.3175		1.7797	1.7796	3.6231	4.1606
H6	2.1543	3.5408	1.0949	2.7045	1.7797		1.7774	2.6099	3.6598
H7	2.1542	3.5411	1.0949	2.7041	1.7796	1.7774		2.6100	3.6597
H8	2.0605	3.6183	2.5704	1.0101	3.6231	2.6099	2.6100		1.7367
H9	2.0340	2.8111	3.3506	1.0104	4.1606	3.6598	3.6597	1.7367

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H5	109.737	C1	C3	H6	109.925
C1	C3	H7	109.921	C1	N4	H8	122.084
C1	N4	H9	119.389	S2	C1	C3	122.407
S2	C1	N4	122.562	C3	C1	N4	115.031
H5	C3	H6	109.364	H5	C3	H7	109.360
H6	C3	H7	108.512	H8	N4	H9	118.527

All results from a given calculation for CH₃CSNH₂ (Ethanethioamide)

using model chemistry: CID/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: CID/3-21G

States and conformations

All results from a given calculation for CH₃CSNH₂ (Ethanethioamide)