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	hartrees
Energy at 0K	-531.446550
Energy at 298.15K
HF Energy	-530.669549
Nuclear repulsion energy	155.215287

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3757	3563	42.13
2	A	3618	3432	78.26
3	A	3225	3059	1.85
4	A	3157	2995	11.07
5	A	3079	2921	14.95
6	A	1656	1571	169.20
7	A	1502	1425	12.12
8	A	1502	1425	24.39
9	A	1425	1351	240.68
10	A	1413	1341	89.59
11	A	1352	1282	13.83
12	A	1049	995	13.65
13	A	1032	979	19.81
14	A	1017	965	1.15
15	A	762	722	2.92
16	A	599	568	14.10
17	A	498	472	17.21
18	A	435	413	0.93
19	A	385	365	0.68
20	A	265	252	225.60
21	A	58	55	1.08

Atom	x (Å)	y (Å)	z (Å)
C1	0.268	0.058	-0.010
S2	-1.364	-0.111	0.003
C3	1.229	-1.108	0.001
N4	0.888	1.261	-0.031
H5	0.705	-2.030	-0.241
H6	2.037	-0.948	-0.720
H7	1.671	-1.205	0.998
H8	1.883	1.333	0.108
H9	0.328	2.092	0.084

	C1	S2	C3	N4	H5	H6	H7	H8	H9
C1		1.6410	1.5104	1.3536	2.1454	2.1552	2.1398	2.0606	2.0367
S2	1.6410		2.7778	2.6371	2.8327	3.5764	3.3766	3.5549	2.7787
C3	1.5104	2.7778		2.3936	1.0874	1.0946	1.0951	2.5289	3.3247
N4	1.3536	2.6371	2.3936		3.3028	2.5840	2.7849	1.0073	1.0078
H5	2.1454	2.8327	1.0874	3.3028		1.7813	1.7738	3.5798	4.1513
H6	2.1552	3.5764	1.0946	2.5840	1.7813		1.7747	2.4314	3.5786
H7	2.1398	3.3766	1.0951	2.7849	1.7738	1.7747		2.6977	3.6753
H8	2.0606	3.5549	2.5289	1.0073	3.5798	2.4314	2.6977		1.7301
H9	2.0367	2.7787	3.3247	1.0078	4.1513	3.5786	3.6753	1.7301

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H5	110.294	C1	C3	H6	110.642
C1	C3	H7	109.391	C1	N4	H8	120.863
C1	N4	H9	118.462	S2	C1	C3	123.580
S2	C1	N4	123.142	C3	C1	N4	113.278
H5	C3	H6	109.446	H5	C3	H7	108.730
H6	C3	H7	108.288	H8	N4	H9	118.310

All results from a given calculation for CH₃CSNH₂ (Ethanethioamide)

using model chemistry: MP2=FULL/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: MP2=FULL/6-311G**

States and conformations

All results from a given calculation for CH₃CSNH₂ (Ethanethioamide)