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	hartrees
Energy at 0K	-531.464268
Energy at 298.15K
HF Energy	-530.699448
Nuclear repulsion energy	155.129633

Atom	x (Å)	y (Å)	z (Å)
C1	0.278	0.059	0.000
S2	-1.366	-0.116	0.000
C3	1.236	-1.105	-0.000
N4	0.878	1.264	-0.000
H5	0.688	-2.041	0.000
H6	1.876	-1.060	-0.885
H7	1.876	-1.060	0.884
H8	1.877	1.353	0.000
H9	0.312	2.093	-0.000

	C1	S2	C3	N4	H5	H6	H7	H8	H9
C1		1.6536	1.5076	1.3455	2.1395	2.1420	2.1420	2.0567	2.0343
S2	1.6536		2.7842	2.6338	2.8157	3.4910	3.4912	3.5602	2.7736
C3	1.5076	2.7842		2.3957	1.0844	1.0926	1.0926	2.5400	3.3290
N4	1.3455	2.6338	2.3957		3.3099	2.6795	2.6793	1.0034	1.0040
H5	2.1395	2.8157	1.0844	3.3099		1.7763	1.7763	3.5958	4.1510
H6	2.1420	3.4910	1.0926	2.6795	1.7763		1.7689	2.5700	3.6294
H7	2.1420	3.4912	1.0926	2.6793	1.7763	1.7689		2.5696	3.6293
H8	2.0567	3.5602	2.5400	1.0034	3.5958	2.5700	2.5696		1.7316
H9	2.0343	2.7736	3.3290	1.0040	4.1510	3.6294	3.6293	1.7316

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H5	110.197	C1	C3	H6	109.902
C1	C3	H7	109.904	C1	N4	H8	121.546
C1	N4	H9	119.237	S2	C1	C3	123.396
S2	C1	N4	122.512	C3	C1	N4	114.092
H5	C3	H6	109.358	H5	C3	H7	109.358
H6	C3	H7	108.085	H8	N4	H9	119.217

All results from a given calculation for CH₃CSNH₂ (Ethanethioamide)

using model chemistry: QCISD/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: QCISD/aug-cc-pVTZ

States and conformations

All results from a given calculation for CH₃CSNH₂ (Ethanethioamide)