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	hartrees
Energy at 0K	-531.318247
Energy at 298.15K
HF Energy	-530.654427
Nuclear repulsion energy	154.036729

Atom	x (Å)	y (Å)	z (Å)
C1	0.280	0.059	-0.000
S2	-1.376	-0.115	-0.000
C3	1.243	-1.114	-0.000
N4	0.886	1.271	0.000
H5	0.687	-2.057	-0.002
H6	1.892	-1.068	-0.891
H7	1.887	-1.071	0.895
H8	1.892	1.360	-0.002
H9	0.319	2.108	-0.000

	C1	S2	C3	N4	H5	H6	H7	H8	H9
C1		1.6647	1.5172	1.3553	2.1545	2.1594	2.1588	2.0720	2.0500
S2	1.6647		2.8026	2.6525	2.8329	3.5186	3.5156	3.5855	2.7959
C3	1.5172	2.8026		2.4115	1.0950	1.1035	1.1036	2.5574	3.3518
N4	1.3553	2.6525	2.4115		3.3341	2.6985	2.6999	1.0106	1.0108
H5	2.1545	2.8329	1.0950	3.3341		1.7942	1.7937	3.6233	4.1815
H6	2.1594	3.5186	1.1035	2.6985	1.7942		1.7867	2.5862	3.6551
H7	2.1588	3.5156	1.1036	2.6999	1.7937	1.7867		2.5913	3.6562
H8	2.0720	3.5855	2.5574	1.0106	3.6233	2.5862	2.5913		1.7420
H9	2.0500	2.7959	3.3518	1.0108	4.1815	3.6551	3.6562	1.7420

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H5	110.082	C1	C3	H6	109.968
C1	C3	H7	109.916	C1	N4	H8	121.584
C1	N4	H9	119.375	S2	C1	C3	123.405
S2	C1	N4	122.542	C3	C1	N4	114.053
H5	C3	H6	109.394	H5	C3	H7	109.348
H6	C3	H7	108.099	H8	N4	H9	119.040

All results from a given calculation for CH₃CSNH₂ (Ethanethioamide)

using model chemistry: CCSD=FULL/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: CCSD=FULL/daug-cc-pVDZ

States and conformations

All results from a given calculation for CH₃CSNH₂ (Ethanethioamide)