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	hartrees
Energy at 0K	-531.629176
Energy at 298.15K
HF Energy	-530.695979
Nuclear repulsion energy	155.938098

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3753	3753	53.32
2	A	3606	3606	75.18
3	A	3220	3220	0.98
4	A	3149	3149	6.31
5	A	3074	3074	13.85
6	A	1638	1638	180.12
7	A	1503	1503	10.46
8	A	1497	1497	18.32
9	A	1414	1414	151.57
10	A	1402	1402	155.77
11	A	1343	1343	12.28
12	A	1045	1045	2.40
13	A	1028	1028	28.24
14	A	1004	1004	2.14
15	A	759	759	2.83
16	A	621	621	4.27
17	A	518	518	7.87
18	A	428	428	0.59
19	A	380	380	1.87
20	A	257	257	164.70
21	A	42	42	0.04

Atom	x (Å)	y (Å)	z (Å)
C1	0.269	0.057	-0.007
S2	-1.356	-0.112	0.000
C3	1.224	-1.104	0.000
N4	0.879	1.258	-0.001
H5	0.689	-2.025	-0.186
H6	1.996	-0.971	-0.755
H7	1.709	-1.167	0.972
H8	1.878	1.340	-0.005
H9	0.316	2.089	0.021

	C1	S2	C3	N4	H5	H6	H7	H8	H9
C1		1.6343	1.5031	1.3467	2.1310	2.1442	2.1289	2.0576	2.0328
S2	1.6343		2.7643	2.6213	2.8064	3.5421	3.3847	3.5452	2.7644
C3	1.5031	2.7643		2.3870	1.0809	1.0884	1.0885	2.5297	3.3196
N4	1.3467	2.6213	2.3870		3.2932	2.6047	2.7419	1.0028	1.0039
H5	2.1310	2.8064	1.0809	3.2932		1.7731	1.7656	3.5729	4.1357
H6	2.1442	3.5421	1.0884	2.6047	1.7731		1.7622	2.4321	3.5758
H7	2.1289	3.3847	1.0885	2.7419	1.7656	1.7622		2.6957	3.6674
H8	2.0576	3.5452	2.5297	1.0028	3.5729	2.4321	2.6957		1.7327
H9	2.0328	2.7644	3.3196	1.0039	4.1357	3.5758	3.6674	1.7327

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H5	110.040	C1	C3	H6	110.643
C1	C3	H7	109.422	C1	N4	H8	121.578
C1	N4	H9	119.002	S2	C1	C3	123.492
S2	C1	N4	122.838	C3	C1	N4	113.663
H5	C3	H6	109.643	H5	C3	H7	108.950
H6	C3	H7	108.100	H8	N4	H9	119.415

All results from a given calculation for CH₃CSNH₂ (Ethanethioamide)

using model chemistry: MP2=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: MP2=FULL/Def2TZVPP

States and conformations

All results from a given calculation for CH₃CSNH₂ (Ethanethioamide)