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	hartrees
Energy at 0K	-208.013560
Energy at 298.15K	-208.019319
Nuclear repulsion energy	122.587742

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3966	3611	53.38
2	A	3822	3481	51.59
3	A	3307	3012	11.12
4	A	3248	2957	17.93
5	A	3182	2898	9.61
6	A	1925	1753	480.10
7	A	1763	1605	115.61
8	A	1581	1440	7.86
9	A	1567	1427	11.38
10	A	1525	1388	97.73
11	A	1434	1306	118.28
12	A	1217	1108	1.22
13	A	1147	1044	5.00
14	A	1058	964	16.15
15	A	911	830	0.49
16	A	684	623	13.27
17	A	598	544	22.74
18	A	557	507	4.70
19	A	445	406	4.49
20	A	140	127	230.95
21	A	32	30	0.13

Atom	x (Å)	y (Å)	z (Å)
C1	-1.362	-0.317	-0.000
C2	0.076	0.152	-0.006
N3	1.011	-0.835	-0.021
O4	0.380	1.312	0.003
H5	-2.009	0.533	-0.187
H6	-1.527	-1.083	-0.757
H7	-1.601	-0.743	0.975
H8	1.969	-0.577	0.062
H9	0.764	-1.793	0.064

	C1	C2	N3	O4	H5	H6	H7	H8	H9
C1		1.5120	2.4291	2.3845	1.0846	1.0901	1.0911	3.3416	2.5885
C2	1.5120		1.3595	1.1997	2.1274	2.1588	2.1387	2.0297	2.0636
N3	2.4291	1.3595		2.2381	3.3200	2.6551	2.7974	0.9954	0.9931
O4	2.3845	1.1997	2.2381		2.5198	3.1551	3.0150	2.4694	3.1292
H5	1.0846	2.1274	3.3200	2.5198		1.7806	1.7736	4.1378	3.6280
H6	1.0901	2.1588	2.6551	3.1551	1.7806		1.7673	3.6269	2.5352
H7	1.0911	2.1387	2.7974	3.0150	1.7736	1.7673		3.6888	2.7432
H8	3.3416	2.0297	0.9954	2.4694	4.1378	3.6269	3.6888		1.7122
H9	2.5885	2.0636	0.9931	3.1292	3.6280	2.5352	2.7432	1.7122

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	115.440	C1	C2	O4	122.709
C2	C1	H5	108.914	C2	C1	H6	111.090
C2	C1	H7	109.430	C2	N3	H8	118.237
C2	N3	H9	121.827	N3	C2	O4	121.851
H5	C1	H6	109.927	H5	C1	H7	109.211
H6	C1	H7	108.243	H8	N3	H9	118.868

All results from a given calculation for CH₃CONH₂ (Acetamide)

using model chemistry: HF/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	0.353
2	C	0.691
3	N	-0.195
4	O	-0.741
5	H	-0.050
6	H	-0.008
7	H	0.037
8	H	-0.045
9	H	-0.042

	x	y	z	Total
	-0.464	-4.074	0.263	4.109
CHELPG
AIM
ESP

	x	y	z
x	5.570	-0.039	-0.014
y	-0.039	5.917	0.005
z	-0.014	0.005	4.165

<r²>	74.516
(<r²>)^1/2	8.632

All results from a given calculation for CH3CONH2 (Acetamide)

using model chemistry: HF/aug-cc-pVDZ

States and conformations

All results from a given calculation for CH₃CONH₂ (Acetamide)