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	hartrees
Energy at 0K	-531.102268
Energy at 298.15K
HF Energy	-530.608728
Nuclear repulsion energy	155.544536

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3837	3545	54.99
2	A	3709	3426	96.76
3	A	3299	3047	1.75
4	A	3220	2974	11.33
5	A	3153	2912	13.36
6	A	1736	1604	212.07
7	A	1575	1455	10.94
8	A	1571	1451	18.24
9	A	1502	1387	48.53
10	A	1474	1361	331.06
11	A	1409	1302	44.82
12	A	1100	1016	1.62
13	A	1078	996	28.56
14	A	1051	971	24.85
15	A	772	714	15.30
16	A	647	598	18.27
17	A	537	496	3.61
18	A	451	416	1.09
19	A	398	367	2.70
20	A	323	299	244.99
21	A	42	39	0.06

Atom	x (Å)	y (Å)	z (Å)
C1	0.275	0.061	-0.008
S2	-1.362	-0.115	0.000
C3	1.232	-1.102	0.000
N4	0.876	1.258	-0.001
H5	0.700	-2.028	-0.181
H6	2.003	-0.973	-0.761
H7	1.723	-1.162	0.973
H8	1.876	1.352	0.000
H9	0.317	2.092	0.019

	C1	S2	C3	N4	H5	H6	H7	H8	H9
C1		1.6462	1.5068	1.3398	2.1390	2.1503	2.1346	2.0572	2.0318
S2	1.6462		2.7761	2.6260	2.8190	3.5554	3.4002	3.5550	2.7730
C3	1.5068	2.7761		2.3869	1.0834	1.0911	1.0913	2.5375	3.3230
N4	1.3398	2.6260	2.3869		3.2958	2.6121	2.7429	1.0040	1.0047
H5	2.1390	2.8190	1.0834	3.2958		1.7743	1.7690	3.5838	4.1429
H6	2.1503	3.5554	1.0911	2.6121	1.7743		1.7670	2.4498	3.5840
H7	2.1346	3.4002	1.0913	2.7429	1.7690	1.7670		2.7005	3.6713
H8	2.0572	3.5550	2.5375	1.0040	3.5838	2.4498	2.7005		1.7260
H9	2.0318	2.7730	3.3230	1.0047	4.1429	3.5840	3.6713	1.7260

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H5	110.275	C1	C3	H6	110.708
C1	C3	H7	109.452	C1	N4	H8	122.081
C1	N4	H9	119.449	S2	C1	C3	123.336
S2	C1	N4	122.819	C3	C1	N4	113.837
H5	C3	H6	109.363	H5	C3	H7	108.867
H6	C3	H7	108.127	H8	N4	H9	118.461

All results from a given calculation for CH₃CSNH₂ (Ethanethioamide)

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

States and conformations

All results from a given calculation for CH₃CSNH₂ (Ethanethioamide)