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	hartrees
Energy at 0K	-531.306688
Energy at 298.15K
HF Energy	-530.669547
Nuclear repulsion energy	154.779259

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3757	3757	36.10
2	A	3628	3628	75.65
3	A	3195	3195	3.13
4	A	3122	3122	14.41
5	A	3056	3056	17.40
6	A	1672	1672	161.92
7	A	1507	1507	10.55
8	A	1505	1505	18.67
9	A	1432	1432	49.06
10	A	1414	1414	307.08
11	A	1357	1357	19.16
12	A	1051	1051	8.26
13	A	1034	1034	32.77
14	A	1023	1023	7.43
15	A	749	749	7.21
16	A	595	595	14.19
17	A	500	500	11.17
18	A	435	435	0.67
19	A	383	383	1.01
20	A	245	245	235.34
21	A	51	51	0.90

Atom	x (Å)	y (Å)	z (Å)
C1	0.272	0.060	-0.009
S2	-1.369	-0.114	0.003
C3	1.238	-1.108	0.001
N4	0.886	1.265	-0.030
H5	0.709	-2.039	-0.203
H6	2.022	-0.961	-0.751
H7	1.714	-1.178	0.987
H8	1.880	1.341	0.106
H9	0.324	2.094	0.079

	C1	S2	C3	N4	H5	H6	H7	H8	H9
C1		1.6500	1.5158	1.3528	2.1524	2.1581	2.1454	2.0599	2.0369
S2	1.6500		2.7899	2.6432	2.8400	3.5758	3.4067	3.5620	2.7838
C3	1.5158	2.7899		2.3997	1.0891	1.0967	1.0973	2.5349	3.3311
N4	1.3528	2.6432	2.3997		3.3130	2.6013	2.7730	1.0069	1.0071
H5	2.1524	2.8400	1.0891	3.3130		1.7852	1.7790	3.5906	4.1603
H6	2.1581	3.5758	1.0967	2.6013	1.7852		1.7785	2.4608	3.5924
H7	2.1454	3.4067	1.0973	2.7730	1.7790	1.7785		2.6742	3.6691
H8	2.0599	3.5620	2.5349	1.0069	3.5906	2.4608	2.6742		1.7287
H9	2.0369	2.7838	3.3311	1.0071	4.1603	3.5924	3.6691	1.7287

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H5	110.366	C1	C3	H6	110.366
C1	C3	H7	109.330	C1	N4	H8	120.905
C1	N4	H9	118.610	S2	C1	C3	123.532
S2	C1	N4	123.038	C3	C1	N4	113.429
H5	C3	H6	109.513	H5	C3	H7	108.913
H6	C3	H7	108.310	H8	N4	H9	118.259

All results from a given calculation for CH₃CSNH₂ (Ethanethioamide)

using model chemistry: CCSD/6-311G**

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/6-311G**

States and conformations

All results from a given calculation for CH₃CSNH₂ (Ethanethioamide)