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	hartrees
Energy at 0K	-531.310414
Energy at 298.15K
HF Energy	-530.635232
Nuclear repulsion energy	155.397890

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3780	3570	57.92
2	A	3633	3431	94.75
3	A	3251	3071	0.33
4	A	3180	3004	4.23
5	A	3100	2928	8.73
6	A	1648	1556	183.64
7	A	1512	1428	19.98
8	A	1512	1428	10.90
9	A	1435	1356	221.69
10	A	1410	1332	65.65
11	A	1348	1273	23.08
12	A	1044	986	0.02
13	A	1039	982	24.17
14	A	1008	953	1.82
15	A	756	714	4.02
16	A	631	596	6.30
17	A	520	491	5.27
18	A	429	405	0.82
19	A	381	359	2.11
20	A	291	275	172.52
21	A	39	37	0.45

Atom	x (Å)	y (Å)	z (Å)
C1	0.271	0.058	-0.000
S2	-1.362	-0.117	0.000
C3	1.237	-1.101	0.000
N4	0.874	1.262	-0.002
H5	0.694	-2.041	-0.002
H6	1.880	-1.054	-0.883
H7	1.878	-1.056	0.885
H8	1.875	1.353	0.007
H9	0.307	2.094	0.004

	C1	S2	C3	N4	H5	H6	H7	H8	H9
C1		1.6428	1.5087	1.3466	2.1415	2.1461	2.1460	2.0615	2.0364
S2	1.6428		2.7790	2.6275	2.8160	3.4887	3.4873	3.5557	2.7710
C3	1.5087	2.7790		2.3911	1.0855	1.0932	1.0932	2.5358	3.3277
N4	1.3466	2.6275	2.3911		3.3084	2.6750	2.6777	1.0054	1.0065
H5	2.1415	2.8160	1.0855	3.3084		1.7766	1.7764	3.5939	4.1534
H6	2.1461	3.4887	1.0932	2.6750	1.7766		1.7671	2.5667	3.6296
H7	2.1460	3.4873	1.0932	2.6777	1.7764	1.7671		2.5643	3.6287
H8	2.0615	3.5557	2.5358	1.0054	3.5939	2.5667	2.5643		1.7342
H9	2.0364	2.7710	3.3277	1.0065	4.1534	3.6296	3.6287	1.7342

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H5	110.211	C1	C3	H6	110.118
C1	C3	H7	110.111	C1	N4	H8	121.768
C1	N4	H9	119.151	S2	C1	C3	123.663
S2	C1	N4	122.721	C3	C1	N4	113.616
H5	C3	H6	109.264	H5	C3	H7	109.248
H6	C3	H7	107.844	H8	N4	H9	119.073

All results from a given calculation for CH₃CSNH₂ (Ethanethioamide)

using model chemistry: MP2/6-31G(2df,p)

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: MP2/6-31G(2df,p)

States and conformations

All results from a given calculation for CH₃CSNH₂ (Ethanethioamide)