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	hartrees
Energy at 0K	-531.342065
Energy at 298.15K
HF Energy	-530.652634
Nuclear repulsion energy	153.525162

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A	3707	3615
2	A	3558	3470
3	A	3174	3095
4	A	3098	3021
5	A	3024	2949
6	A	1638	1597
7	A	1469	1432
8	A	1466	1429
9	A	1388	1353
10	A	1371	1337
11	A	1322	1289
12	A	1017	992
13	A	1013	988
14	A	991	966
15	A	729	710
16	A	598	583
17	A	498	486
18	A	416	406
19	A	372	363
20	A	233	228
21	A	25	24

Atom	x (Å)	y (Å)	z (Å)
C1	0.280	0.056	-0.003
S2	-1.381	-0.115	-0.000
C3	1.247	-1.116	0.000
N4	0.890	1.275	0.004
H5	0.692	-2.061	-0.058
H6	1.939	-1.044	-0.860
H7	1.848	-1.103	0.928
H8	1.900	1.364	-0.018
H9	0.321	2.114	-0.001

	C1	S2	C3	N4	H5	H6	H7	H8	H9
C1		1.6691	1.5201	1.3639	2.1578	2.1671	2.1615	2.0821	2.0582
S2	1.6691		2.8126	2.6629	2.8443	3.5528	3.5026	3.5983	2.8038
C3	1.5201	2.8126		2.4180	1.0977	1.1059	1.1058	2.5642	3.3602
N4	1.3639	2.6629	2.4180		3.3431	2.6874	2.7258	1.0133	1.0136
H5	2.1578	2.8443	1.0977	3.3431		1.7982	1.7965	3.6318	4.1919
H6	2.1671	3.5528	1.1059	2.6874	1.7982		1.7912	2.5504	3.6502
H7	2.1615	3.5026	1.1058	2.7258	1.7965	1.7912		2.6425	3.6804
H8	2.0821	3.5983	2.5642	1.0133	3.6318	2.5504	2.6425		1.7481
H9	2.0582	2.8038	3.3602	1.0136	4.1919	3.6502	3.6804	1.7481

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H5	109.980	C1	C3	H6	110.238
C1	C3	H7	109.804	C1	N4	H8	121.593
C1	N4	H9	119.190	S2	C1	C3	123.684
S2	C1	N4	122.474	C3	C1	N4	113.840
H5	C3	H6	109.380	H5	C3	H7	109.232
H6	C3	H7	108.175	H8	N4	H9	119.184

All results from a given calculation for CH₃CSNH₂ (Ethanethioamide)

using model chemistry: MP4=FULL/aug-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: MP4=FULL/aug-cc-pVDZ

States and conformations

All results from a given calculation for CH₃CSNH₂ (Ethanethioamide)