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	hartrees
Energy at 0K	-209.302660
Energy at 298.15K	-209.308367
Nuclear repulsion energy	121.783667

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3730	3607	37.93
2	A	3593	3475	33.06
3	A	3116	3013	16.86
4	A	3115	3013	4.47
5	A	3044	2943	7.82
6	A	1764	1706	384.94
7	A	1622	1568	95.38
8	A	1493	1443	8.26
9	A	1475	1427	7.27
10	A	1401	1355	48.20
11	A	1340	1295	142.12
12	A	1120	1083	0.28
13	A	1055	1021	3.23
14	A	986	954	11.49
15	A	840	812	2.52
16	A	670	648	9.06
17	A	547	529	13.13
18	A	526	508	5.61
19	A	432	418	4.79
20	A	219	212	186.30
21	A	20	19	2.41

Atom	x (Å)	y (Å)	z (Å)
C1	-1.359	-0.349	-0.000
C2	0.075	0.145	-0.000
N3	1.038	-0.821	-0.000
O4	0.350	1.329	0.000
H5	-1.864	0.055	-0.876
H6	-1.451	-1.434	-0.003
H7	-1.863	0.050	0.880
H8	2.003	-0.536	0.000
H9	0.821	-1.800	0.000

	C1	C2	N3	O4	H5	H6	H7	H8	H9
C1		1.5165	2.4427	2.3945	1.0891	1.0891	1.0892	3.3669	2.6187
C2	1.5165		1.3640	1.2150	2.1300	2.1957	2.1300	2.0447	2.0837
N3	2.4427	1.3640		2.2570	3.1554	2.5628	3.1533	1.0064	1.0033
O4	2.3945	1.2150	2.2570		2.7007	3.2976	2.7027	2.4918	3.1644
H5	1.0891	2.1300	3.1554	2.7007		1.7749	1.7562	4.0091	3.3792
H6	1.0891	2.1957	2.5628	3.2976	1.7749		1.7748	3.5684	2.3006
H7	1.0892	2.1300	3.1533	2.7027	1.7562	1.7748		4.0071	3.3757
H8	3.3669	2.0447	1.0064	2.4918	4.0091	3.5684	4.0071		1.7311
H9	2.6187	2.0837	1.0033	3.1644	3.3792	2.3006	3.3757	1.7311

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	115.890	C1	C2	O4	122.089
C2	C1	H5	108.545	C2	C1	H6	113.842
C2	C1	H7	108.545	C2	N3	H8	118.441
C2	N3	H9	122.603	N3	C2	O4	122.021
H5	C1	H6	109.138	H5	C1	H7	107.453
H6	C1	H7	109.126	H8	N3	H9	118.956

All results from a given calculation for CH₃CONH₂ (Acetamide)

using model chemistry: B3LYP/6-311+G(3df,2p)

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	-0.338
2	C	0.914
3	N	-0.691
4	O	-0.746
5	H	0.163
6	H	0.138
7	H	0.163
8	H	0.193
9	H	0.203

	x	y	z	Total
	-0.156	-3.905	0.002	3.908
CHELPG
AIM
ESP

	x	y	z
x	6.421	-0.201	-0.000
y	-0.201	6.492	0.000
z	-0.000	0.000	4.418

<r²>	75.343
(<r²>)^1/2	8.680

All results from a given calculation for CH3CONH2 (Acetamide)

using model chemistry: B3LYP/6-311+G(3df,2p)

States and conformations

All results from a given calculation for CH₃CONH₂ (Acetamide)