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	hartrees
Energy at 0K	-531.216089
Energy at 298.15K
HF Energy	-530.640304
Nuclear repulsion energy	154.351595

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3756	3577	51.11
2	A	3601	3430	78.11
3	A	3237	3083	1.20
4	A	3164	3014	9.75
5	A	3078	2932	16.65
6	A	1633	1555	199.69
7	A	1485	1415	31.17
8	A	1483	1413	9.51
9	A	1425	1357	190.05
10	A	1396	1329	53.43
11	A	1339	1275	11.34
12	A	1031	982	19.86
13	A	1029	980	2.72
14	A	1001	954	1.48
15	A	756	720	2.96
16	A	618	588	5.66
17	A	508	484	9.08
18	A	427	407	0.71
19	A	380	362	2.12
20	A	101	96	164.39
21	A	36	34	8.65

Atom	x (Å)	y (Å)	z (Å)
C1	0.273	0.058	-0.001
S2	-1.372	-0.115	0.000
C3	1.241	-1.109	0.000
N4	0.885	1.267	-0.005
H5	0.693	-2.058	-0.019
H6	1.904	-1.053	-0.882
H7	1.875	-1.074	0.904
H8	1.894	1.353	0.019
H9	0.315	2.106	0.012

	C1	S2	C3	N4	H5	H6	H7	H8	H9
C1		1.6540	1.5161	1.3560	2.1567	2.1615	2.1603	2.0758	2.0493
S2	1.6540		2.7961	2.6471	2.8351	3.5205	3.5045	3.5815	2.7899
C3	1.5161	2.7961		2.4026	1.0964	1.1044	1.1045	2.5471	3.3457
N4	1.3560	2.6471	2.4026		3.3307	2.6820	2.6998	1.0131	1.0143
H5	2.1567	2.8351	1.0964	3.3307		1.7946	1.7938	3.6167	4.1813
H6	2.1615	3.5205	1.1044	2.6820	1.7946		1.7860	2.5698	3.6480
H7	2.1603	3.5045	1.1045	2.6998	1.7938	1.7860		2.5837	3.6528
H8	2.0758	3.5815	2.5471	1.0131	3.6167	2.5698	2.5837		1.7493
H9	2.0493	2.7899	3.3457	1.0143	4.1813	3.6480	3.6528	1.7493

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H5	110.248	C1	C3	H6	110.157
C1	C3	H7	110.055	C1	N4	H8	121.700
C1	N4	H9	118.965	S2	C1	C3	123.720
S2	C1	N4	122.844	C3	C1	N4	113.436
H5	C3	H6	109.259	H5	C3	H7	109.172
H6	C3	H7	107.905	H8	N4	H9	119.271

All results from a given calculation for CH₃CSNH₂ (Ethanethioamide)

using model chemistry: MP2/cc-pVDZ

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/cc-pVDZ

States and conformations

All results from a given calculation for CH₃CSNH₂ (Ethanethioamide)