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	hartrees
Energy at 0K	-209.171485
Energy at 298.15K	-209.177201
Nuclear repulsion energy	121.488071

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3748	3616	37.79
2	A	3603	3476	32.88
3	A	3169	3057	6.45
4	A	3134	3023	11.95
5	A	3054	2946	7.23
6	A	1774	1711	375.67
7	A	1613	1556	106.82
8	A	1460	1408	13.82
9	A	1439	1388	9.58
10	A	1384	1335	116.98
11	A	1332	1285	49.62
12	A	1108	1069	0.39
13	A	1033	996	3.60
14	A	972	938	8.02
15	A	856	825	1.48
16	A	659	635	7.66
17	A	545	525	13.87
18	A	519	501	6.92
19	A	421	406	4.35
20	A	211	203	184.64
21	A	42	40	2.11

Atom	x (Å)	y (Å)	z (Å)
C1	-1.364	-0.328	-0.001
C2	0.074	0.146	-0.009
N3	1.021	-0.839	-0.003
O4	0.376	1.330	0.000
H5	-1.970	0.380	-0.574
H6	-1.487	-1.339	-0.411
H7	-1.729	-0.326	1.036
H8	1.992	-0.569	0.035
H9	0.784	-1.817	-0.005

	C1	C2	N3	O4	H5	H6	H7	H8	H9
C1		1.5136	2.4384	2.4030	1.0950	1.0979	1.0992	3.3650	2.6138
C2	1.5136		1.3659	1.2220	2.1338	2.1912	2.1365	2.0480	2.0878
N3	2.4384	1.3659		2.2625	3.2801	2.5890	2.9839	1.0092	1.0068
O4	2.4030	1.2220	2.2625		2.5954	3.2805	2.8709	2.4942	3.1737
H5	1.0950	2.1338	3.2801	2.5954		1.7939	1.7747	4.1203	3.5698
H6	1.0979	2.1912	2.5890	3.2805	1.7939		1.7828	3.5910	2.3560
H7	1.0992	2.1365	2.9839	2.8709	1.7747	1.7828		3.8614	3.1024
H8	3.3650	2.0480	1.0092	2.4942	4.1203	3.5910	3.8614		1.7376
H9	2.6138	2.0878	1.0068	3.1737	3.5698	2.3560	3.1024	1.7376

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	115.636	C1	C2	O4	122.544
C2	C1	H5	108.708	C2	C1	H6	113.120
C2	C1	H7	108.670	C2	N3	H8	118.370
C2	N3	H9	122.539	N3	C2	O4	121.808
H5	C1	H6	109.782	H5	C1	H7	107.957
H6	C1	H7	108.474	H8	N3	H9	119.061

All results from a given calculation for CH₃CONH₂ (Acetamide)

using model chemistry: B3PW91/aug-cc-pVDZ

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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Number	Element	Mulliken
1	C	0.426
2	C	0.571
3	N	0.009
4	O	-0.607
5	H	-0.078
6	H	-0.172
7	H	-0.021
8	H	-0.071
9	H	-0.058

	x	y	z	Total
	-0.224	-3.916	0.076	3.924
CHELPG
AIM
ESP

	x	y	z
x	6.457	-0.161	-0.033
y	-0.161	6.634	-0.006
z	-0.033	-0.006	4.479

<r²>	75.379
(<r²>)^1/2	8.682

All results from a given calculation for CH3CONH2 (Acetamide)

using model chemistry: B3PW91/aug-cc-pVDZ

States and conformations

All results from a given calculation for CH₃CONH₂ (Acetamide)