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	hartrees
Energy at 0K	-531.488379
Energy at 298.15K
HF Energy	-530.697876
Nuclear repulsion energy	154.867113

Atom	x (Å)	y (Å)	z (Å)
C1	0.274	0.058	-0.009
S2	-1.368	-0.113	0.000
C3	1.235	-1.109	0.000
N4	0.885	1.265	0.001
H5	0.705	-2.030	-0.223
H6	2.035	-0.960	-0.730
H7	1.691	-1.196	0.990
H8	1.887	1.350	-0.011
H9	0.319	2.097	0.020

	C1	S2	C3	N4	H5	H6	H7	H8	H9
C1		1.6514	1.5118	1.3528	2.1426	2.1578	2.1396	2.0658	2.0396
S2	1.6514		2.7872	2.6412	2.8320	3.5822	3.3928	3.5683	2.7805
C3	1.5118	2.7872		2.4001	1.0860	1.0937	1.0935	2.5437	3.3345
N4	1.3528	2.6412	2.4001		3.3078	2.6092	2.7722	1.0054	1.0062
H5	2.1426	2.8320	1.0860	3.3078		1.7814	1.7727	3.5866	4.1521
H6	2.1578	3.5822	1.0937	2.6092	1.7814		1.7702	2.4231	3.5848
H7	2.1396	3.3928	1.0935	2.7722	1.7727	1.7702		2.7421	3.6967
H8	2.0658	3.5683	2.5437	1.0054	3.5866	2.4231	2.7421		1.7370
H9	2.0396	2.7805	3.3345	1.0062	4.1521	3.5848	3.6967	1.7370

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H5	110.058	C1	C3	H6	110.809
C1	C3	H7	109.374	C1	N4	H8	121.627
C1	N4	H9	118.944	S2	C1	C3	123.501
S2	C1	N4	122.772	C3	C1	N4	113.714
H5	C3	H6	109.626	H5	C3	H7	108.852
H6	C3	H7	108.073	H8	N4	H9	119.429

All results from a given calculation for CH₃CSNH₂ (Ethanethioamide)

using model chemistry: MP4/cc-pV(T+d)Z

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/cc-pV(T+d)Z

States and conformations

All results from a given calculation for CH₃CSNH₂ (Ethanethioamide)