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	hartrees
Energy at 0K	-531.209112
Energy at 298.15K
HF Energy	-530.607355
Nuclear repulsion energy	154.243509

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A	3703	3552
2	A	3572	3427
3	A	3194	3064
4	A	3115	2988
5	A	3049	2925
6	A	1673	1605
7	A	1527	1465
8	A	1527	1464
9	A	1445	1386
10	A	1424	1366
11	A	1353	1298
12	A	1058	1015
13	A	1041	998
14	A	1010	969
15	A	737	707
16	A	611	586
17	A	506	485
18	A	430	413
19	A	382	367
20	A	172	165
21	A	2	2

Atom	x (Å)	y (Å)	z (Å)
C1	0.277	0.058	-0.001
S2	-1.375	-0.115	-0.000
C3	1.243	-1.110	0.000
N4	0.886	1.267	0.002
H5	0.692	-2.052	-0.020
H6	1.902	-1.058	-0.879
H7	1.872	-1.079	0.902
H8	1.894	1.362	-0.008
H9	0.319	2.108	-0.001

	C1	S2	C3	N4	H5	H6	H7	H8	H9
C1		1.6604	1.5155	1.3542	2.1498	2.1585	2.1571	2.0782	2.0507
S2	1.6604		2.8007	2.6494	2.8325	3.5218	3.5050	3.5874	2.7948
C3	1.5155	2.8007		2.4034	1.0917	1.0997	1.0996	2.5558	3.3475
N4	1.3542	2.6494	2.4034		3.3244	2.6865	2.6997	1.0133	1.0137
H5	2.1498	2.8325	1.0917	3.3244		1.7857	1.7854	3.6192	4.1762
H6	2.1585	3.5218	1.0997	2.6865	1.7857		1.7808	2.5722	3.6471
H7	2.1571	3.5050	1.0996	2.6997	1.7854	1.7808		2.6053	3.6585
H8	2.0782	3.5874	2.5558	1.0133	3.6192	2.5722	2.6053		1.7428
H9	2.0507	2.7948	3.3475	1.0137	4.1762	3.6471	3.6585	1.7428

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H5	110.023	C1	C3	H6	110.240
C1	C3	H7	110.128	C1	N4	H8	122.095
C1	N4	H9	119.310	S2	C1	C3	123.673
S2	C1	N4	122.689	C3	C1	N4	113.637
H5	C3	H6	109.150	H5	C3	H7	109.126
H6	C3	H7	108.135	H8	N4	H9	118.588

All results from a given calculation for CH₃CSNH₂ (Ethanethioamide)

using model chemistry: QCISD(T)/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(T)/6-31G*

States and conformations

All results from a given calculation for CH₃CSNH₂ (Ethanethioamide)