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	hartrees
Energy at 0K	-531.397235
Energy at 298.15K
HF Energy	-530.677141
Nuclear repulsion energy	154.912822

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3752	3555	38.51
2	A	3620	3430	70.54
3	A	3201	3033	3.32
4	A	3134	2970	14.04
5	A	3067	2906	17.65
6	A	1676	1588	157.71
7	A	1510	1431	11.84
8	A	1505	1426	12.35
9	A	1443	1367	18.90
10	A	1405	1332	326.40
11	A	1359	1288	19.90
12	A	1063	1007	4.01
13	A	1037	982	21.90
14	A	1016	963	32.03
15	A	748	709	6.22
16	A	602	571	15.34
17	A	488	463	11.28
18	A	437	414	1.95
19	A	383	363	2.52
20	A	293	278	218.37
21	A	73	69	4.60

Atom	x (Å)	y (Å)	z (Å)
C1	0.278	0.060	-0.012
S2	-1.368	-0.112	0.003
C3	1.234	-1.108	0.001
N4	0.886	1.265	-0.030
H5	0.743	-1.997	-0.383
H6	2.121	-0.896	-0.600
H7	1.551	-1.304	1.028
H8	1.880	1.345	0.101
H9	0.323	2.089	0.088

	C1	S2	C3	N4	H5	H6	H7	H8	H9
C1		1.6554	1.5092	1.3495	2.1407	2.1575	2.1356	2.0565	2.0321
S2	1.6554		2.7860	2.6419	2.8555	3.6263	3.3153	3.5613	2.7773
C3	1.5092	2.7860		2.3982	1.0851	1.0920	1.0925	2.5388	3.3258
N4	1.3495	2.6419	2.3982		3.2833	2.5526	2.8566	1.0054	1.0058
H5	2.1407	2.8555	1.0851	3.2833		1.7772	1.7667	3.5628	4.1341
H6	2.1575	3.6263	1.0920	2.5526	1.7772		1.7721	2.3602	3.5520
H7	2.1356	3.3153	1.0925	2.8566	1.7667	1.7721		2.8259	3.7293
H8	2.0565	3.5613	2.5388	1.0054	3.5628	2.3602	2.8259		1.7259
H9	2.0321	2.7773	3.3258	1.0058	4.1341	3.5520	3.7293	1.7259

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H5	110.132	C1	C3	H6	111.062
C1	C3	H7	109.292	C1	N4	H8	120.987
C1	N4	H9	118.540	S2	C1	C3	123.300
S2	C1	N4	122.764	C3	C1	N4	113.935
H5	C3	H6	109.430	H5	C3	H7	108.443
H6	C3	H7	108.424	H8	N4	H9	118.218

All results from a given calculation for CH₃CSNH₂ (Ethanethioamide)

using model chemistry: CCSD=FULL/TZVP

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/TZVP

States and conformations

All results from a given calculation for CH₃CSNH₂ (Ethanethioamide)