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	hartrees
Energy at 0K	-531.563005
Energy at 298.15K
HF Energy	-530.698582
Nuclear repulsion energy	156.163441

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3760	3565	51.31
2	A	3621	3433	75.86
3	A	3225	3057	0.72
4	A	3150	2987	6.31
5	A	3088	2927	14.19
6	A	1656	1570	178.42
7	A	1512	1434	9.17
8	A	1510	1431	19.56
9	A	1428	1354	205.70
10	A	1405	1332	98.26
11	A	1348	1278	13.04
12	A	1045	991	0.21
13	A	1034	981	27.08
14	A	1007	955	2.06
15	A	761	722	3.51
16	A	626	594	5.35
17	A	528	501	6.13
18	A	428	406	0.67
19	A	382	362	1.98
20	A	291	276	163.89
21	A	64	61	0.30

Atom	x (Å)	y (Å)	z (Å)
C1	0.271	0.057	-0.000
S2	-1.355	-0.109	0.000
C3	1.218	-1.104	-0.000
N4	0.882	1.253	-0.001
H5	0.667	-2.032	-0.005
H6	1.860	-1.062	-0.876
H7	1.852	-1.068	0.883
H8	1.881	1.333	0.005
H9	0.322	2.085	0.003

	C1	S2	C3	N4	H5	H6	H7	H8	H9
C1		1.6344	1.4982	1.3432	2.1261	2.1321	2.1315	2.0547	2.0291
S2	1.6344		2.7588	2.6193	2.7904	3.4663	3.4616	3.5431	2.7623
C3	1.4982	2.7588		2.3806	1.0793	1.0873	1.0873	2.5255	3.3126
N4	1.3432	2.6193	2.3806		3.2919	2.6609	2.6657	1.0022	1.0032
H5	2.1261	2.7904	1.0793	3.2919		1.7674	1.7670	3.5773	4.1317
H6	2.1321	3.4663	1.0873	2.6609	1.7674		1.7589	2.5517	3.6115
H7	2.1315	3.4616	1.0873	2.6657	1.7670	1.7589		2.5563	3.6130
H8	2.0547	3.5431	2.5255	1.0022	3.5773	2.5517	2.5563		1.7308
H9	2.0291	2.7623	3.3126	1.0032	4.1317	3.6115	3.6130	1.7308

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H5	110.087	C1	C3	H6	110.089
C1	C3	H7	110.042	C1	N4	H8	121.661
C1	N4	H9	119.005	S2	C1	C3	123.385
S2	C1	N4	122.906	C3	C1	N4	113.709
H5	C3	H6	109.329	H5	C3	H7	109.288
H6	C3	H7	107.969	H8	N4	H9	119.330

All results from a given calculation for CH₃CSNH₂ (Ethanethioamide)

using model chemistry: MP2=FULL/cc-pV(T+d)Z

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/cc-pV(T+d)Z

States and conformations

All results from a given calculation for CH₃CSNH₂ (Ethanethioamide)