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	hartrees
Energy at 0K	-208.873350
Energy at 298.15K
HF Energy	-208.063678
Nuclear repulsion energy	121.898907

Atom	x (Å)	y (Å)	z (Å)
C1	-1.367	-0.301	0.000
C2	0.078	0.155	0.001
N3	0.995	-0.860	-0.032
O4	0.404	1.322	0.004
H5	-2.009	0.572	-0.058
H6	-1.561	-0.958	-0.849
H7	-1.588	-0.856	0.913
H8	1.965	-0.620	0.071
H9	0.724	-1.814	0.105

	C1	C2	N3	O4	H5	H6	H7	H8	H9
C1		1.5154	2.4273	2.4020	1.0855	1.0910	1.0912	3.3473	2.5829
C2	1.5154		1.3679	1.2116	2.1297	2.1564	2.1520	2.0403	2.0748
N3	2.4273	1.3679		2.2606	3.3283	2.6862	2.7507	1.0040	1.0016
O4	2.4020	1.2116	2.2606		2.5280	3.1285	3.0884	2.4919	3.1540
H5	1.0855	2.1297	3.3283	2.5280		1.7793	1.7772	4.1507	3.6318
H6	1.0910	2.1564	2.6862	3.1285	1.7793		1.7657	3.6599	2.6207
H7	1.0912	2.1520	2.7507	3.0884	1.7772	1.7657		3.6590	2.6301
H8	3.3473	2.0403	1.0040	2.4919	4.1507	3.6599	3.6590		1.7227
H9	2.5829	2.0748	1.0016	3.1540	3.6318	2.6207	2.6301	1.7227

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	114.578	C1	C2	O4	123.104
C2	C1	H5	108.820	C2	C1	H6	110.602
C2	C1	H7	110.242	C2	N3	H8	117.857
C2	N3	H9	121.468	N3	C2	O4	122.303
H5	C1	H6	109.670	H5	C1	H7	109.469
H6	C1	H7	108.023	H8	N3	H9	118.401

All results from a given calculation for CH₃CONH₂ (Acetamide)

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

States and conformations

All results from a given calculation for CH₃CONH₂ (Acetamide)