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	hartrees
Energy at 0K	-531.528408
Energy at 298.15K
HF Energy	-530.697101
Nuclear repulsion energy	155.849967

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3775	3579	46.35
2	A	3647	3458	76.87
3	A	3205	3038	1.47
4	A	3124	2962	9.09
5	A	3076	2916	16.24
6	A	1682	1595	177.29
7	A	1521	1442	8.31
8	A	1516	1438	19.06
9	A	1443	1368	110.22
10	A	1416	1343	222.46
11	A	1362	1292	24.91
12	A	1058	1003	0.08
13	A	1038	984	35.07
14	A	1018	965	8.68
15	A	752	713	9.15
16	A	630	597	7.15
17	A	534	507	2.92
18	A	431	408	0.90
19	A	382	362	2.64
20	A	310	294	168.43
21	A	66	62	0.20

Atom	x (Å)	y (Å)	z (Å)
C1	0.277	0.060	0.000
S2	-1.361	-0.110	0.000
C3	1.223	-1.104	0.000
N4	0.882	1.254	-0.001
H5	0.672	-2.033	0.004
H6	1.858	-1.066	-0.883
H7	1.864	-1.062	0.878
H8	1.879	1.337	0.003
H9	0.323	2.084	0.001

	C1	S2	C3	N4	H5	H6	H7	H8	H9
C1		1.6460	1.5001	1.3387	2.1296	2.1322	2.1326	2.0489	2.0248
S2	1.6460		2.7680	2.6249	2.7976	3.4714	3.4746	3.5480	2.7659
C3	1.5001	2.7680		2.3825	1.0797	1.0880	1.0880	2.5277	3.3128
N4	1.3387	2.6249	2.3825		3.2932	2.6664	2.6641	1.0002	1.0009
H5	2.1296	2.7976	1.0797	3.2932		1.7686	1.7686	3.5793	4.1315
H6	2.1322	3.4714	1.0880	2.6664	1.7686		1.7607	2.5607	3.6135
H7	2.1326	3.4746	1.0880	2.6641	1.7686	1.7607		2.5533	3.6109
H8	2.0489	3.5480	2.5277	1.0002	3.5793	2.5607	2.5533		1.7258
H9	2.0248	2.7659	3.3128	1.0009	4.1315	3.6135	3.6109	1.7258

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H5	110.209	C1	C3	H6	109.923
C1	C3	H7	109.950	C1	N4	H8	121.659
C1	N4	H9	119.159	S2	C1	C3	123.175
S2	C1	N4	122.823	C3	C1	N4	114.002
H5	C3	H6	109.345	H5	C3	H7	109.351
H6	C3	H7	108.025	H8	N4	H9	119.180

All results from a given calculation for CH₃CSNH₂ (Ethanethioamide)

using model chemistry: CCSD=FULL/cc-pVTZ

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-pVTZ

States and conformations

All results from a given calculation for CH₃CSNH₂ (Ethanethioamide)