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	hartrees
Energy at 0K	-531.243617
Energy at 298.15K
HF Energy	-530.625253
Nuclear repulsion energy	154.617067

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3801	3593	45.05
2	A	3661	3461	75.64
3	A	3239	3062	3.00
4	A	3170	2997	13.30
5	A	3099	2929	20.27
6	A	1695	1603	164.89
7	A	1529	1445	9.48
8	A	1527	1443	9.31
9	A	1456	1376	20.47
10	A	1414	1336	347.06
11	A	1360	1286	30.84
12	A	1061	1003	6.87
13	A	1041	985	27.25
14	A	1019	964	21.98
15	A	744	704	7.78
16	A	585	553	4.09
17	A	480	454	25.57
18	A	437	413	1.01
19	A	383	362	1.19
20	A	71	67	0.93
21	A	117i	111i	192.58

Atom	x (Å)	y (Å)	z (Å)
C1	0.277	0.058	-0.013
S2	-1.371	-0.111	0.001
C3	1.235	-1.112	0.001
N4	0.889	1.265	-0.004
H5	0.725	-2.016	-0.319
H6	2.088	-0.927	-0.655
H7	1.608	-1.262	1.017
H8	1.892	1.352	0.003
H9	0.334	2.103	0.039

	C1	S2	C3	N4	H5	H6	H7	H8	H9
C1		1.6566	1.5124	1.3540	2.1435	2.1595	2.1387	2.0699	2.0472
S2	1.6566		2.7919	2.6466	2.8507	3.6145	3.3514	3.5760	2.7949
C3	1.5124	2.7919		2.4024	1.0854	1.0925	1.0926	2.5507	3.3399
N4	1.3540	2.6466	2.4024		3.3001	2.5815	2.8189	1.0061	1.0068
H5	2.1435	2.8507	1.0854	3.3001		1.7771	1.7693	3.5789	4.1533
H6	2.1595	3.6145	1.0925	2.5815	1.7771		1.7720	2.3799	3.5694
H7	2.1387	3.3514	1.0926	2.8189	1.7693	1.7720		2.8188	3.7295
H8	2.0699	3.5760	2.5507	1.0061	3.5789	2.3799	2.8188		1.7301
H9	2.0472	2.7949	3.3399	1.0068	4.1533	3.5694	3.7295	1.7301

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H5	110.118	C1	C3	H6	110.968
C1	C3	H7	109.316	C1	N4	H8	121.879
C1	N4	H9	119.537	S2	C1	C3	123.459
S2	C1	N4	122.747	C3	C1	N4	113.776
H5	C3	H6	109.359	H5	C3	H7	108.654
H6	C3	H7	108.375	H8	N4	H9	118.525

All results from a given calculation for CH₃CSNH₂ (Ethanethioamide)

using model chemistry: QCISD/6-31+G**

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: QCISD/6-31+G**

States and conformations

All results from a given calculation for CH₃CSNH₂ (Ethanethioamide)