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	hartrees
Energy at 0K	-531.241665
Energy at 298.15K
HF Energy	-530.625152
Nuclear repulsion energy	154.768928

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3799	3548	44.39
2	A	3661	3419	75.89
3	A	3244	3029	2.76
4	A	3172	2962	12.49
5	A	3101	2895	19.13
6	A	1698	1586	165.10
7	A	1530	1428	10.50
8	A	1527	1426	9.62
9	A	1457	1360	19.35
10	A	1418	1324	379.60
11	A	1366	1276	20.73
12	A	1061	990	8.96
13	A	1044	975	30.50
14	A	1027	959	16.98
15	A	751	701	7.51
16	A	585	546	8.03
17	A	488	456	21.10
18	A	437	408	1.32
19	A	386	360	1.06
20	A	216	202	215.80
21	A	55	52	3.09

Atom	x (Å)	y (Å)	z (Å)
C1	0.274	0.057	-0.007
S2	-1.369	-0.112	0.002
C3	1.235	-1.111	0.001
N4	0.888	1.265	-0.022
H5	0.710	-2.028	-0.246
H6	2.041	-0.951	-0.718
H7	1.675	-1.214	0.995
H8	1.886	1.348	0.069
H9	0.331	2.100	0.066

	C1	S2	C3	N4	H5	H6	H7	H8	H9
C1		1.6524	1.5119	1.3548	2.1435	2.1551	2.1407	2.0665	2.0446
S2	1.6524		2.7890	2.6439	2.8385	3.5854	3.3870	3.5686	2.7905
C3	1.5119	2.7890		2.4010	1.0850	1.0923	1.0927	2.5445	3.3355
N4	1.3548	2.6439	2.4010		3.3054	2.5934	2.7931	1.0063	1.0068
H5	2.1435	2.8385	1.0850	3.3054		1.7765	1.7702	3.5889	4.1566
H6	2.1551	3.5854	1.0923	2.5934	1.7765		1.7716	2.4349	3.5838
H7	2.1407	3.3870	1.0927	2.7931	1.7702	1.7716		2.7323	3.6947
H8	2.0665	3.5686	2.5445	1.0063	3.5889	2.4349	2.7323		1.7271
H9	2.0446	2.7905	3.3355	1.0068	4.1566	3.5838	3.6947	1.7271

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H5	110.174	C1	C3	H6	110.662
C1	C3	H7	109.497	C1	N4	H8	121.446
C1	N4	H9	119.208	S2	C1	C3	123.560
S2	C1	N4	122.786	C3	C1	N4	113.654
H5	C3	H6	109.358	H5	C3	H7	108.751
H6	C3	H7	108.354	H8	N4	H9	118.175

All results from a given calculation for CH₃CSNH₂ (Ethanethioamide)

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

States and conformations

All results from a given calculation for CH₃CSNH₂ (Ethanethioamide)