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	hartrees
Energy at 0K	-208.875789
Energy at 298.15K
HF Energy	-208.063511
Nuclear repulsion energy	121.841179

Atom	x (Å)	y (Å)	z (Å)
C1	-1.368	-0.299	0.000
C2	0.079	0.155	0.001
N3	0.994	-0.862	-0.032
O4	0.407	1.322	0.004
H5	-2.009	0.575	-0.058
H6	-1.564	-0.956	-0.849
H7	-1.591	-0.854	0.913
H8	1.964	-0.624	0.071
H9	0.721	-1.817	0.105

	C1	C2	N3	O4	H5	H6	H7	H8	H9
C1		1.5161	2.4282	2.4043	1.0857	1.0913	1.0914	3.3484	2.5838
C2	1.5161		1.3686	1.2131	2.1306	2.1575	2.1530	2.0409	2.0759
N3	2.4282	1.3686		2.2625	3.3294	2.6871	2.7519	1.0042	1.0019
O4	2.4043	1.2131	2.2625		2.5302	3.1311	3.0908	2.4933	3.1563
H5	1.0857	2.1306	3.3294	2.5302		1.7795	1.7775	4.1521	3.6330
H6	1.0913	2.1575	2.6871	3.1311	1.7795		1.7659	3.6611	2.6215
H7	1.0914	2.1530	2.7519	3.0908	1.7775	1.7659		3.6602	2.6314
H8	3.3484	2.0409	1.0042	2.4933	4.1521	3.6611	3.6602		1.7231
H9	2.5838	2.0759	1.0019	3.1563	3.6330	2.6215	2.6314	1.7231

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	114.552	C1	C2	O4	123.133
C2	C1	H5	108.821	C2	C1	H6	110.619
C2	C1	H7	110.257	C2	N3	H8	117.852
C2	N3	H9	121.487	N3	C2	O4	122.300
H5	C1	H6	109.657	H5	C1	H7	109.460
H6	C1	H7	108.013	H8	N3	H9	118.392

All results from a given calculation for CH₃CONH₂ (Acetamide)

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 CH3CONH2 (Acetamide)

using model chemistry: QCISD/aug-cc-pVTZ

States and conformations

All results from a given calculation for CH₃CONH₂ (Acetamide)