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	hartrees
Energy at 0K	-209.174625
Energy at 298.15K
HF Energy	-209.174625
Nuclear repulsion energy	121.256913

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3670	3619	23.07
2	A	3530	3480	17.49
3	A	3089	3046	11.19
4	A	3061	3018	18.39
5	A	2994	2952	11.16
6	A	1729	1705	310.38
7	A	1586	1563	79.91
8	A	1462	1442	6.77
9	A	1443	1423	7.84
10	A	1362	1343	46.36
11	A	1305	1287	125.96
12	A	1096	1080	0.16
13	A	1027	1013	2.90
14	A	957	943	10.29
15	A	816	805	3.42
16	A	653	644	6.83
17	A	536	528	12.39
18	A	505	498	5.13
19	A	421	415	4.24
20	A	139	137	169.55
21	A	36i	36i	7.09

Atom	x (Å)	y (Å)	z (Å)
C1	-1.368	-0.330	-0.001
C2	0.078	0.149	-0.008
N3	1.023	-0.844	-0.017
O4	0.377	1.333	0.003
H5	-1.950	0.312	-0.663
H6	-1.485	-1.374	-0.307
H7	-1.769	-0.215	1.012
H8	1.992	-0.579	0.058
H9	0.780	-1.818	0.049

	C1	C2	N3	O4	H5	H6	H7	H8	H9
C1		1.5226	2.4448	2.4105	1.0915	1.0940	1.0950	3.3696	2.6128
C2	1.5226		1.3707	1.2217	2.1376	2.2024	2.1406	2.0494	2.0891
N3	2.4448	1.3707		2.2712	3.2545	2.5793	3.0410	1.0082	1.0058
O4	2.4105	1.2217	2.2712		2.6273	3.3003	2.8322	2.5039	3.1772
H5	1.0915	2.1376	3.2545	2.6273		1.7849	1.7653	4.1059	3.5352
H6	1.0940	2.2024	2.5793	3.3003	1.7849		1.7780	3.5858	2.3353
H7	1.0950	2.1406	3.0410	2.8322	1.7653	1.7780		3.8976	3.1610
H8	3.3696	2.0494	1.0082	2.5039	4.1059	3.5858	3.8976		1.7336
H9	2.6128	2.0891	1.0058	3.1772	3.5352	2.3353	3.1610	1.7336

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	114.253	C1	C2	O4	123.233
C2	C1	H5	108.793	C2	C1	H6	111.046
C2	C1	H7	110.663	C2	N3	H8	117.870
C2	N3	H9	121.955	N3	C2	O4	122.500
H5	C1	H6	109.429	H5	C1	H7	109.252
H6	C1	H7	107.632	H8	N3	H9	118.150

All results from a given calculation for CH₃CONH₂ (Acetamide)

using model chemistry: B97D3/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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Number	Element	Mulliken
1	C	-0.268
2	C	0.199
3	N	-0.195
4	O	-0.321
5	H	0.110
6	H	0.069
7	H	0.107
8	H	0.153
9	H	0.146

	x	y	z	Total
	-0.067	-3.714	0.222	3.721
CHELPG
AIM
ESP

	x	y	z
x	6.176	-0.188	0.006
y	-0.188	6.156	-0.004
z	0.006	-0.004	3.868

<r²>	75.492
(<r²>)^1/2	8.689

All results from a given calculation for CH3CONH2 (Acetamide)

using model chemistry: B97D3/cc-pVTZ

States and conformations

All results from a given calculation for CH₃CONH₂ (Acetamide)