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	hartrees
Energy at 0K	-531.200035
Energy at 298.15K
HF Energy	-530.655424
Nuclear repulsion energy	154.909335

Atom	x (Å)	y (Å)	z (Å)
C1	0.279	0.060	-0.000
S2	-1.368	-0.116	-0.000
C3	1.238	-1.107	0.000
N4	0.878	1.265	0.001
H5	0.687	-2.045	-0.008
H6	1.886	-1.057	-0.883
H7	1.874	-1.065	0.892
H8	1.877	1.356	-0.006
H9	0.314	2.095	-0.002

	C1	S2	C3	N4	H5	H6	H7	H8	H9
C1		1.6566	1.5107	1.3454	2.1446	2.1473	2.1463	2.0574	2.0353
S2	1.6566		2.7882	2.6367	2.8188	3.5010	3.4941	3.5635	2.7782
C3	1.5107	2.7882		2.3994	1.0879	1.0967	1.0967	2.5446	3.3330
N4	1.3454	2.6367	2.3994		3.3158	2.6819	2.6859	1.0035	1.0037
H5	2.1446	2.8188	1.0879	3.3158		1.7835	1.7834	3.6034	4.1572
H6	2.1473	3.5010	1.0967	2.6819	1.7835		1.7755	2.5676	3.6314
H7	2.1463	3.4941	1.0967	2.6859	1.7834	1.7755		2.5819	3.6358
H8	2.0574	3.5635	2.5446	1.0035	3.6034	2.5676	2.5819		1.7294
H9	2.0353	2.7782	3.3330	1.0037	4.1572	3.6314	3.6358	1.7294

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H5	110.175	C1	C3	H6	109.865
C1	C3	H7	109.788	C1	N4	H8	121.620
C1	N4	H9	119.378	S2	C1	C3	123.292
S2	C1	N4	122.535	C3	C1	N4	114.173
H5	C3	H6	109.452	H5	C3	H7	109.440
H6	C3	H7	108.087	H8	N4	H9	118.997

All results from a given calculation for CH₃CSNH₂ (Ethanethioamide)

using model chemistry: CISD/daug-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: CISD/daug-cc-pVDZ

States and conformations

All results from a given calculation for CH₃CSNH₂ (Ethanethioamide)