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	hartrees
Energy at 0K	-531.396131
Energy at 298.15K
HF Energy	-530.635601
Nuclear repulsion energy	155.662095

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3799	3577	51.20
2	A	3664	3450	92.76
3	A	3241	3051	1.03
4	A	3166	2981	6.48
5	A	3097	2916	10.65
6	A	1675	1577	179.42
7	A	1533	1444	8.48
8	A	1527	1438	22.47
9	A	1453	1368	130.99
10	A	1430	1347	189.56
11	A	1368	1289	32.62
12	A	1066	1003	0.08
13	A	1052	990	31.94
14	A	1024	964	7.48
15	A	755	711	9.11
16	A	641	604	8.70
17	A	535	503	2.02
18	A	435	410	0.99
19	A	385	362	2.65
20	A	325	306	176.13
21	A	66	62	0.39

Atom	x (Å)	y (Å)	z (Å)
C1	0.273	0.060	0.000
S2	-1.361	-0.117	0.000
C3	1.235	-1.099	-0.000
N4	0.873	1.258	-0.001
H5	0.693	-2.038	0.008
H6	1.868	-1.057	-0.888
H7	1.881	-1.049	0.879
H8	1.871	1.350	0.005
H9	0.311	2.090	0.002

	C1	S2	C3	N4	H5	H6	H7	H8	H9
C1		1.6435	1.5062	1.3400	2.1402	2.1409	2.1417	2.0539	2.0299
S2	1.6435		2.7753	2.6231	2.8132	3.4788	3.4858	3.5495	2.7684
C3	1.5062	2.7753		2.3849	1.0841	1.0919	1.0919	2.5303	3.3197
N4	1.3400	2.6231	2.3849		3.3015	2.6719	2.6670	1.0027	1.0034
H5	2.1402	2.8132	1.0841	3.3015		1.7738	1.7739	3.5871	4.1457
H6	2.1409	3.4788	1.0919	2.6719	1.7738		1.7669	2.5674	3.6221
H7	2.1417	3.4858	1.0919	2.6670	1.7739	1.7669		2.5529	3.6171
H8	2.0539	3.5495	2.5303	1.0027	3.5871	2.5674	2.5529		1.7267
H9	2.0299	2.7684	3.3197	1.0034	4.1457	3.6221	3.6171	1.7267

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H5	110.370	C1	C3	H6	109.958
C1	C3	H7	110.019	C1	N4	H8	121.837
C1	N4	H9	119.357	S2	C1	C3	123.505
S2	C1	N4	122.776	C3	C1	N4	113.719
H5	C3	H6	109.208	H5	C3	H7	109.222
H6	C3	H7	108.020	H8	N4	H9	118.803

All results from a given calculation for CH₃CSNH₂ (Ethanethioamide)

using model chemistry: CCSD=FULL/6-31G(2df,p)

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(2df,p)

States and conformations

All results from a given calculation for CH₃CSNH₂ (Ethanethioamide)