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	hartrees
Energy at 0K	-531.444175
Energy at 298.15K
HF Energy	-530.696226
Nuclear repulsion energy	155.766186

Atom	x (Å)	y (Å)	z (Å)
C1	0.272	0.061	-0.007
S2	-1.358	-0.115	0.000
C3	1.229	-1.104	-0.000
N4	0.875	1.260	0.001
H5	0.695	-2.026	-0.186
H6	2.003	-0.969	-0.756
H7	1.715	-1.166	0.973
H8	1.872	1.345	-0.011
H9	0.313	2.088	0.016

	C1	S2	C3	N4	H5	H6	H7	H8	H9
C1		1.6399	1.5071	1.3428	2.1370	2.1485	2.1327	2.0512	2.0279
S2	1.6399		2.7699	2.6231	2.8116	3.5494	3.3910	3.5446	2.7651
C3	1.5071	2.7699		2.3903	1.0821	1.0900	1.0901	2.5312	3.3206
N4	1.3428	2.6231	2.3903		3.2969	2.6103	2.7453	1.0002	1.0009
H5	2.1370	2.8116	1.0821	3.2969		1.7756	1.7681	3.5747	4.1370
H6	2.1485	3.5494	1.0900	2.6103	1.7756		1.7642	2.4340	3.5773
H7	2.1327	3.3910	1.0901	2.7453	1.7681	1.7642		2.7009	3.6701
H8	2.0512	3.5446	2.5312	1.0002	3.5747	2.4340	2.7009		1.7275
H9	2.0279	2.7651	3.3206	1.0009	4.1370	3.5773	3.6701	1.7275

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H5	110.162	C1	C3	H6	110.610
C1	C3	H7	109.344	C1	N4	H8	121.517
C1	N4	H9	119.105	S2	C1	C3	123.266
S2	C1	N4	122.838	C3	C1	N4	113.888
H5	C3	H6	109.662	H5	C3	H7	108.973
H6	C3	H7	108.043	H8	N4	H9	119.378

All results from a given calculation for CH₃CSNH₂ (Ethanethioamide)

using model chemistry: MP3/Def2TZVPP

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: MP3/Def2TZVPP

States and conformations

All results from a given calculation for CH₃CSNH₂ (Ethanethioamide)