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	hartrees
Energy at 0K	-209.144709
Energy at 298.15K	-209.150331
Nuclear repulsion energy	121.553993

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3779	3621	37.33
2	A	3633	3481	34.12
3	A	3167	3035	8.75
4	A	3157	3025	13.82
5	A	3070	2943	7.38
6	A	1827	1751	319.10
7	A	1627	1560	118.49
8	A	1500	1438	11.75
9	A	1480	1418	6.36
10	A	1408	1350	81.20
11	A	1358	1301	86.06
12	A	1123	1076	0.66
13	A	1054	1010	8.58
14	A	986	945	5.34
15	A	852	816	1.87
16	A	677	649	15.70
17	A	541	518	13.48
18	A	523	501	8.48
19	A	429	411	4.75
20	A	158	151	229.39
21	A	33	32	6.74

Atom	x (Å)	y (Å)	z (Å)
C1	1.361	-0.338	-0.000
C2	-0.078	0.146	-0.003
N3	-1.026	-0.834	-0.002
O4	-0.365	1.331	0.000
H5	1.832	-0.028	0.937
H6	1.470	-1.420	-0.109
H7	1.896	0.159	-0.813
H8	-1.994	-0.555	0.013
H9	-0.801	-1.813	0.003

	C1	C2	N3	O4	H5	H6	H7	H8	H9
C1		1.5179	2.4387	2.4013	1.0935	1.0933	1.0923	3.3626	2.6174
C2	1.5179		1.3641	1.2200	2.1353	2.2041	2.1332	2.0408	2.0883
N3	2.4387	1.3641		2.2643	3.1147	2.5664	3.1915	1.0076	1.0049
O4	2.4013	1.2200	2.2643		2.7476	3.3091	2.6736	2.4923	3.1747
H5	1.0935	2.1353	3.1147	2.7476		1.7787	1.7606	3.9713	3.3152
H6	1.0933	2.2041	2.5664	3.3091	1.7787		1.7811	3.5728	2.3070
H7	1.0923	2.1332	3.1915	2.6736	1.7606	1.7811		4.0407	3.4394
H8	3.3626	2.0408	1.0076	2.4923	3.9713	3.5728	4.0407		1.7348
H9	2.6174	2.0883	1.0049	3.1747	3.3152	2.3070	3.4394	1.7348

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	115.501	C1	C2	O4	122.208
C2	C1	H5	108.618	C2	C1	H6	114.169
C2	C1	H7	108.517	C2	N3	H8	117.968
C2	N3	H9	122.935	N3	C2	O4	122.289
H5	C1	H6	108.856	H5	C1	H7	107.304
H6	C1	H7	109.160	H8	N3	H9	119.086

All results from a given calculation for CH₃CONH₂ (Acetamide)

using model chemistry: B3PW91/6-31G**

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	-0.466
2	C	0.564
3	N	-0.646
4	O	-0.502
5	H	0.172
6	H	0.120
7	H	0.173
8	H	0.297
9	H	0.286

	x	y	z	Total
	0.061	-3.746	0.051	3.747
CHELPG
AIM
ESP

<r²>	74.852
(<r²>)^1/2	8.652

All results from a given calculation for CH3CONH2 (Acetamide)

using model chemistry: B3PW91/6-31G**

States and conformations

All results from a given calculation for CH₃CONH₂ (Acetamide)