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	hartrees
Energy at 0K	-209.176201
Energy at 298.15K	-209.181868
Nuclear repulsion energy	122.044518

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3769	3613	26.30
2	A	3631	3481	27.11
3	A	3153	3023	7.19
4	A	3151	3020	23.94
5	A	3070	2942	9.77
6	A	1822	1747	360.80
7	A	1660	1592	112.79
8	A	1507	1444	13.50
9	A	1485	1424	9.18
10	A	1411	1352	89.43
11	A	1362	1305	93.79
12	A	1135	1088	0.33
13	A	1058	1014	6.85
14	A	990	949	7.99
15	A	856	820	1.87
16	A	686	657	15.53
17	A	542	520	14.20
18	A	525	504	9.53
19	A	426	409	4.34
20	A	196	188	227.86
21	A	18	17	13.14

Atom	x (Å)	y (Å)	z (Å)
C1	1.353	-0.345	-0.000
C2	-0.077	0.147	-0.000
N3	-1.029	-0.824	0.000
O4	-0.352	1.327	-0.000
H5	1.859	0.056	0.878
H6	1.455	-1.431	-0.001
H7	1.859	0.058	-0.877
H8	-1.994	-0.543	-0.000
H9	-0.812	-1.802	-0.000

	C1	C2	N3	O4	H5	H6	H7	H8	H9
C1		1.5121	2.4297	2.3887	1.0898	1.0903	1.0898	3.3532	2.6098
C2	1.5121		1.3602	1.2118	2.1272	2.1994	2.1272	2.0383	2.0836
N3	2.4297	1.3602		2.2550	3.1443	2.5577	3.1450	1.0050	1.0021
O4	2.3887	1.2118	2.2550		2.6973	3.2978	2.6967	2.4892	3.1631
H5	1.0898	2.1272	3.1443	2.6973		1.7738	1.7542	3.9973	3.3707
H6	1.0903	2.1994	2.5577	3.2978	1.7738		1.7739	3.5621	2.2980
H7	1.0898	2.1272	3.1450	2.6967	1.7542	1.7739		3.9978	3.3715
H8	3.3532	2.0383	1.0050	2.4892	3.9973	3.5621	3.9978		1.7267
H9	2.6098	2.0836	1.0021	3.1631	3.3707	2.2980	3.3715	1.7267

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	115.440	C1	C2	O4	122.163
C2	C1	H5	108.600	C2	C1	H6	114.403
C2	C1	H7	108.600	C2	N3	H8	118.258
C2	N3	H9	123.052	N3	C2	O4	122.396
H5	C1	H6	108.904	H5	C1	H7	107.189
H6	C1	H7	108.907	H8	N3	H9	118.690

All results from a given calculation for CH₃CONH₂ (Acetamide)

using model chemistry: B1B95/6-311G*

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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Number	Element	Mulliken
1	C	-0.733
2	C	0.466
3	N	-0.792
4	O	-0.370
5	H	0.252
6	H	0.211
7	H	0.252
8	H	0.359
9	H	0.356

	x	y	z	Total
	-0.012	-3.790	-0.001	3.790
CHELPG
AIM
ESP

	x	y	z
x	5.340	0.208	0.000
y	0.208	5.464	0.000
z	0.000	0.000	3.245

<r²>	74.571
(<r²>)^1/2	8.635

All results from a given calculation for CH3CONH2 (Acetamide)

using model chemistry: B1B95/6-311G*

States and conformations

All results from a given calculation for CH₃CONH₂ (Acetamide)