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	hartrees
Energy at 0K	-208.944300
Energy at 298.15K
HF Energy	-208.064293
Nuclear repulsion energy	122.393684

Atom	x (Å)	y (Å)	z (Å)
C1	-1.360	-0.299	-0.000
C2	0.078	0.154	0.002
N3	0.989	-0.858	-0.032
O4	0.403	1.317	0.004
H5	-2.000	0.572	-0.059
H6	-1.552	-0.954	-0.848
H7	-1.580	-0.851	0.912
H8	1.956	-0.619	0.069
H9	0.717	-1.809	0.105

	C1	C2	N3	O4	H5	H6	H7	H8	H9
C1		1.5075	2.4142	2.3918	1.0832	1.0885	1.0887	3.3319	2.5694
C2	1.5075		1.3622	1.2073	2.1208	2.1464	2.1424	2.0324	2.0677
N3	2.4142	1.3622		2.2525	3.3139	2.6705	2.7371	1.0013	0.9992
O4	2.3918	1.2073	2.2525		2.5175	3.1155	3.0759	2.4827	3.1437
H5	1.0832	2.1208	3.3139	2.5175		1.7754	1.7736	4.1341	3.6167
H6	1.0885	2.1464	2.6705	3.1155	1.7754		1.7636	3.6414	2.6049
H7	1.0887	2.1424	2.7371	3.0759	1.7736	1.7636		3.6430	2.6166
H8	3.3319	2.0324	1.0013	2.4827	4.1341	3.6414	3.6430		1.7189
H9	2.5694	2.0677	0.9992	3.1437	3.6167	2.6049	2.6166	1.7189

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	114.458	C1	C2	O4	123.158
C2	C1	H5	108.792	C2	C1	H6	110.511
C2	C1	H7	110.176	C2	N3	H8	117.802
C2	N3	H9	121.475	N3	C2	O4	122.366
H5	C1	H6	109.667	H5	C1	H7	109.488
H6	C1	H7	108.195	H8	N3	H9	118.465

All results from a given calculation for CH₃CONH₂ (Acetamide)

using model chemistry: CCSD=FULL/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: CCSD=FULL/aug-cc-pVTZ

States and conformations

All results from a given calculation for CH₃CONH₂ (Acetamide)