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	hartrees
Energy at 0K	-209.201089
Energy at 298.15K
Nuclear repulsion energy	120.452162

Atom	x (Å)	y (Å)	z (Å)
C1	-1.375	-0.344	-0.000
C2	0.078	0.150	-0.000
N3	1.039	-0.840	-0.001
O4	0.365	1.344	0.000
H5	-1.887	0.069	-0.880
H6	-1.485	-1.438	-0.007
H7	-1.883	0.056	0.888
H8	2.016	-0.560	0.002
H9	0.820	-1.829	0.002

	C1	C2	N3	O4	H5	H6	H7	H8	H9
C1		1.5348	2.4645	2.4242	1.0985	1.0993	1.0986	3.3973	2.6494
C2	1.5348		1.3794	1.2278	2.1547	2.2283	2.1550	2.0633	2.1128
N3	2.4645	1.3794		2.2850	3.1878	2.5945	3.1831	1.0156	1.0131
O4	2.4242	1.2278	2.2850		2.7336	3.3409	2.7387	2.5194	3.2047
H5	1.0985	2.1547	3.1878	2.7336		1.7867	1.7676	4.0501	3.4212
H6	1.0993	2.2283	2.5945	3.3409	1.7867		1.7867	3.6092	2.3378
H7	1.0986	2.1550	3.1831	2.7387	1.7676	1.7867		4.0452	3.4120
H8	3.3973	2.0633	1.0156	2.5194	4.0501	3.6092	4.0452		1.7435
H9	2.6494	2.1128	1.0131	3.2047	3.4212	2.3378	3.4120	1.7435

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	115.388	C1	C2	O4	122.295
C2	C1	H5	108.689	C2	C1	H6	114.540
C2	C1	H7	108.705	C2	N3	H8	118.179
C2	N3	H9	123.313	N3	C2	O4	122.317
H5	C1	H6	108.772	H5	C1	H7	107.126
H6	C1	H7	108.760	H8	N3	H9	118.507

Number	Element	Mulliken
1	C	-0.671
2	C	0.416
3	N	-0.717
4	O	-0.331
5	H	0.227
6	H	0.188
7	H	0.227
8	H	0.331
9	H	0.331

All results from a given calculation for CH₃CONH₂ (Acetamide)

using model chemistry: BLYP/6-311G*

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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You are here: Calculated > Energy > Optimized > Energy

	x	y	z	Total
	0.063	-3.669	0.009	3.670
CHELPG
AIM
ESP

<r²>	76.531
(<r²>)^1/2	8.748

All results from a given calculation for CH3CONH2 (Acetamide)

using model chemistry: BLYP/6-311G*

States and conformations

All results from a given calculation for CH₃CONH₂ (Acetamide)