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	hartrees
Energy at 0K	-531.233242
Energy at 298.15K
HF Energy	-530.621181
Nuclear repulsion energy	154.727336

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3815	3592	42.17
2	A	3675	3460	81.02
3	A	3254	3063	3.20
4	A	3176	2990	14.38
5	A	3105	2923	17.23
6	A	1697	1598	172.78
7	A	1543	1452	8.09
8	A	1542	1452	11.46
9	A	1461	1375	36.03
10	A	1434	1350	270.52
11	A	1365	1285	33.23
12	A	1066	1003	0.00
13	A	1052	990	30.44
14	A	1023	963	9.78
15	A	743	699	8.55
16	A	614	578	12.90
17	A	513	483	4.89
18	A	434	408	0.75
19	A	385	362	1.97
20	A	237	223	217.48
21	A	32	30	0.04

Atom	x (Å)	y (Å)	z (Å)
C1	0.276	0.058	-0.000
S2	-1.372	-0.113	0.000
C3	1.239	-1.108	0.000
N4	0.886	1.263	-0.000
H5	0.693	-2.045	-0.001
H6	1.879	-1.064	-0.883
H7	1.877	-1.066	0.885
H8	1.887	1.350	-0.000
H9	0.327	2.098	0.000

	C1	S2	C3	N4	H5	H6	H7	H8	H9
C1		1.6568	1.5124	1.3504	2.1442	2.1475	2.1474	2.0658	2.0404
S2	1.6568		2.7938	2.6446	2.8276	3.5010	3.4999	3.5731	2.7886
C3	1.5124	2.7938		2.3969	1.0843	1.0922	1.0922	2.5428	3.3332
N4	1.3504	2.6446	2.3969		3.3134	2.6797	2.6807	1.0049	1.0053
H5	2.1442	2.8276	1.0843	3.3134		1.7744	1.7743	3.5996	4.1592
H6	2.1475	3.5010	1.0922	2.6797	1.7744		1.7683	2.5712	3.6318
H7	2.1474	3.4999	1.0922	2.6807	1.7743	1.7683		2.5732	3.6325
H8	2.0658	3.5731	2.5428	1.0049	3.5996	2.5712	2.5732		1.7302
H9	2.0404	2.7886	3.3332	1.0053	4.1592	3.6318	3.6325	1.7302

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H5	110.237	C1	C3	H6	110.027
C1	C3	H7	110.019	C1	N4	H8	121.897
C1	N4	H9	119.306	S2	C1	C3	123.598
S2	C1	N4	122.824	C3	C1	N4	113.578
H5	C3	H6	109.215	H5	C3	H7	109.211
H6	C3	H7	108.091	H8	N4	H9	118.797

All results from a given calculation for CH₃CSNH₂ (Ethanethioamide)

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

States and conformations

All results from a given calculation for CH₃CSNH₂ (Ethanethioamide)