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	hartrees
Energy at 0K	-531.595436
Energy at 298.15K
HF Energy	-530.698829
Nuclear repulsion energy	155.991155

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3775	3775	46.17
2	A	3647	3647	76.29
3	A	3204	3204	1.51
4	A	3124	3124	9.17
5	A	3076	3076	16.17
6	A	1682	1682	176.03
7	A	1521	1521	8.30
8	A	1516	1516	19.32
9	A	1442	1442	107.11
10	A	1416	1416	229.74
11	A	1363	1363	23.02
12	A	1058	1058	0.08
13	A	1038	1038	35.99
14	A	1018	1018	8.25
15	A	754	754	9.07
16	A	630	630	6.89
17	A	535	535	3.12
18	A	431	431	0.88
19	A	383	383	2.58
20	A	305	305	168.77
21	A	68	68	0.22

Atom	x (Å)	y (Å)	z (Å)
C1	0.274	0.060	0.000
S2	-1.358	-0.111	0.000
C3	1.221	-1.104	0.000
N4	0.881	1.254	-0.001
H5	0.671	-2.033	0.004
H6	1.856	-1.065	-0.883
H7	1.863	-1.061	0.878
H8	1.878	1.336	0.004
H9	0.323	2.084	0.002

	C1	S2	C3	N4	H5	H6	H7	H8	H9
C1		1.6414	1.5004	1.3392	2.1298	2.1325	2.1329	2.0494	2.0252
S2	1.6414		2.7645	2.6219	2.7953	3.4676	3.4711	3.5445	2.7643
C3	1.5004	2.7645		2.3821	1.0797	1.0880	1.0880	2.5268	3.3125
N4	1.3392	2.6219	2.3821		3.2931	2.6656	2.6635	1.0002	1.0009
H5	2.1298	2.7953	1.0797	3.2931		1.7686	1.7686	3.5785	4.1318
H6	2.1325	3.4676	1.0880	2.6656	1.7686		1.7607	2.5600	3.6130
H7	2.1329	3.4711	1.0880	2.6635	1.7686	1.7607		2.5514	3.6100
H8	2.0494	3.5445	2.5268	1.0002	3.5785	2.5600	2.5514		1.7257
H9	2.0252	2.7643	3.3125	1.0009	4.1318	3.6130	3.6100	1.7257

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H5	110.205	C1	C3	H6	109.924
C1	C3	H7	109.953	C1	N4	H8	121.661
C1	N4	H9	119.155	S2	C1	C3	123.197
S2	C1	N4	122.879	C3	C1	N4	113.924
H5	C3	H6	109.344	H5	C3	H7	109.351
H6	C3	H7	108.026	H8	N4	H9	119.180

All results from a given calculation for CH₃CSNH₂ (Ethanethioamide)

using model chemistry: CCSD=FULL/cc-pV(T+d)Z

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/cc-pV(T+d)Z

States and conformations

All results from a given calculation for CH₃CSNH₂ (Ethanethioamide)