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	hartrees
Energy at 0K	-531.456746
Energy at 298.15K
HF Energy	-530.699603
Nuclear repulsion energy	155.491600

Atom	x (Å)	y (Å)	z (Å)
C1	0.275	0.060	-0.000
S2	-1.362	-0.115	-0.000
C3	1.232	-1.104	-0.000
N4	0.876	1.261	0.000
H5	0.684	-2.039	-0.001
H6	1.873	-1.059	-0.883
H7	1.871	-1.060	0.884
H8	1.875	1.348	-0.000
H9	0.313	2.092	-0.000

	C1	S2	C3	N4	H5	H6	H7	H8	H9
C1		1.6457	1.5070	1.3435	2.1387	2.1414	2.1414	2.0541	2.0324
S2	1.6457		2.7757	2.6270	2.8085	3.4832	3.4823	3.5517	2.7706
C3	1.5070	2.7757		2.3921	1.0838	1.0921	1.0921	2.5350	3.3254
N4	1.3435	2.6270	2.3921		3.3062	2.6755	2.6762	1.0026	1.0032
H5	2.1387	2.8085	1.0838	3.3062		1.7754	1.7753	3.5905	4.1479
H6	2.1414	3.4832	1.0921	2.6755	1.7754		1.7676	2.5640	3.6250
H7	2.1414	3.4823	1.0921	2.6762	1.7753	1.7676		2.5655	3.6256
H8	2.0541	3.5517	2.5350	1.0026	3.5905	2.5640	2.5655		1.7296
H9	2.0324	2.7706	3.3254	1.0032	4.1479	3.6250	3.6256	1.7296

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H5	110.208	C1	C3	H6	109.929
C1	C3	H7	109.922	C1	N4	H8	121.541
C1	N4	H9	119.308	S2	C1	C3	123.330
S2	C1	N4	122.683	C3	C1	N4	113.987
H5	C3	H6	109.352	H5	C3	H7	109.349
H6	C3	H7	108.043	H8	N4	H9	119.152

All results from a given calculation for CH₃CSNH₂ (Ethanethioamide)

using model chemistry: CCD/aug-cc-pVTZ

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: CCD/aug-cc-pVTZ

States and conformations

All results from a given calculation for CH₃CSNH₂ (Ethanethioamide)