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	hartrees
Energy at 0K	-531.190194
Energy at 298.15K
HF Energy	-530.607761
Nuclear repulsion energy	154.512199

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3729	3552	41.83
2	A	3602	3430	82.25
3	A	3209	3056	2.39
4	A	3131	2982	12.57
5	A	3066	2920	15.38
6	A	1686	1606	183.12
7	A	1534	1461	10.22
8	A	1534	1461	11.94
9	A	1459	1389	51.36
10	A	1434	1366	257.37
11	A	1365	1300	36.52
12	A	1066	1015	0.07
13	A	1049	999	27.68
14	A	1020	971	10.22
15	A	742	707	9.03
16	A	617	587	13.25
17	A	514	490	5.59
18	A	435	414	0.89
19	A	386	368	2.03
20	A	219	209	236.14
21	A	33	31	0.12

Atom	x (Å)	y (Å)	z (Å)
C1	0.277	0.058	-0.000
S2	-1.372	-0.115	-0.000
C3	1.241	-1.108	0.000
N4	0.884	1.265	0.001
H5	0.691	-2.050	-0.005
H6	1.888	-1.064	-0.886
H7	1.880	-1.070	0.892
H8	1.891	1.360	-0.004
H9	0.320	2.105	-0.001

	C1	S2	C3	N4	H5	H6	H7	H8	H9
C1		1.6583	1.5129	1.3505	2.1481	2.1543	2.1539	2.0733	2.0467
S2	1.6583		2.7954	2.6445	2.8285	3.5097	3.5053	3.5809	2.7907
C3	1.5129	2.7954		2.3991	1.0904	1.0983	1.0983	2.5517	3.3418
N4	1.3505	2.6445	2.3991		3.3198	2.6869	2.6898	1.0115	1.0119
H5	2.1481	2.8285	1.0904	3.3198		1.7833	1.7832	3.6142	4.1707
H6	2.1543	3.5097	1.0983	2.6869	1.7833		1.7783	2.5795	3.6448
H7	2.1539	3.5053	1.0983	2.6898	1.7832	1.7783		2.5891	3.6480
H8	2.0733	3.5809	2.5517	1.0115	3.6142	2.5795	2.5891		1.7389
H9	2.0467	2.7907	3.3418	1.0119	4.1707	3.6448	3.6480	1.7389

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H5	110.149	C1	C3	H6	110.172
C1	C3	H7	110.135	C1	N4	H8	122.103
C1	N4	H9	119.393	S2	C1	C3	123.586
S2	C1	N4	122.702	C3	C1	N4	113.712
H5	C3	H6	109.127	H5	C3	H7	109.118
H6	C3	H7	108.099	H8	N4	H9	118.502

All results from a given calculation for CH₃CSNH₂ (Ethanethioamide)

using model chemistry: QCISD/6-31G*

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: QCISD/6-31G*

States and conformations

All results from a given calculation for CH₃CSNH₂ (Ethanethioamide)