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	hartrees
Energy at 0K	-531.660831
Energy at 298.15K
HF Energy	-530.696342
Nuclear repulsion energy	155.991666

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3797	3797	50.64
2	A	3664	3664	82.31
3	A	3221	3221	1.58
4	A	3144	3144	7.77
5	A	3080	3080	14.84
6	A	1671	1671	195.06
7	A	1513	1513	9.99
8	A	1507	1507	24.38
9	A	1435	1435	65.81
10	A	1414	1414	300.45
11	A	1363	1363	15.92
12	A	1058	1058	1.40
13	A	1035	1035	41.23
14	A	1020	1020	7.71
15	A	761	761	7.92
16	A	628	628	5.64
17	A	528	528	4.86
18	A	433	433	0.80
19	A	383	383	2.56
20	A	291	291	170.14
21	A	39	39	0.04

Atom	x (Å)	y (Å)	z (Å)
C1	0.272	0.060	-0.006
S2	-1.357	-0.114	0.000
C3	1.226	-1.103	-0.000
N4	0.875	1.258	0.001
H5	0.688	-2.026	-0.154
H6	1.977	-0.983	-0.778
H7	1.739	-1.146	0.959
H8	1.871	1.341	-0.012
H9	0.314	2.085	0.012

	C1	S2	C3	N4	H5	H6	H7	H8	H9
C1		1.6375	1.5050	1.3410	2.1332	2.1432	2.1301	2.0488	2.0255
S2	1.6375		2.7657	2.6197	2.8039	3.5317	3.4005	3.5402	2.7622
C3	1.5050	2.7657		2.3867	1.0800	1.0880	1.0880	2.5276	3.3162
N4	1.3410	2.6197	2.3867		3.2934	2.6157	2.7276	0.9991	0.9997
H5	2.1332	2.8039	1.0800	3.2934		1.7721	1.7658	3.5721	4.1322
H6	2.1432	3.5317	1.0880	2.6157	1.7721		1.7611	2.4493	3.5781
H7	2.1301	3.4005	1.0880	2.7276	1.7658	1.7611		2.6730	3.6558
H8	2.0488	3.5402	2.5276	0.9991	3.5721	2.4493	2.6730		1.7253
H9	2.0255	2.7622	3.3162	0.9997	4.1322	3.5781	3.6558	1.7253

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H5	110.141	C1	C3	H6	110.459
C1	C3	H7	109.420	C1	N4	H8	121.526
C1	N4	H9	119.123	S2	C1	C3	123.259
S2	C1	N4	122.864	C3	C1	N4	113.871
H5	C3	H6	109.650	H5	C3	H7	109.065
H6	C3	H7	108.065	H8	N4	H9	119.348

All results from a given calculation for CH₃CSNH₂ (Ethanethioamide)

using model chemistry: MP3=FULL/Def2TZVPP

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: MP3=FULL/Def2TZVPP

States and conformations

All results from a given calculation for CH₃CSNH₂ (Ethanethioamide)