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	hartrees
Energy at 0K	-209.133981
Energy at 298.15K	-209.139544
Nuclear repulsion energy	121.483702

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3752	3589	33.82
2	A	3619	3462	32.92
3	A	3169	3032	8.97
4	A	3153	3017	15.25
5	A	3075	2942	7.36
6	A	1829	1750	322.27
7	A	1648	1577	109.36
8	A	1516	1450	10.57
9	A	1497	1433	7.04
10	A	1423	1361	72.09
11	A	1368	1309	103.90
12	A	1133	1084	0.54
13	A	1065	1019	9.08
14	A	993	950	5.89
15	A	855	818	1.91
16	A	678	649	15.94
17	A	543	520	13.90
18	A	522	499	7.92
19	A	429	410	4.60
20	A	128	122	239.37
21	A	29	28	14.45

Atom	x (Å)	y (Å)	z (Å)
C1	-1.362	-0.336	-0.000
C2	0.078	0.147	-0.005
N3	1.025	-0.836	-0.012
O4	0.368	1.332	0.002
H5	-1.914	0.206	-0.772
H6	-1.472	-1.412	-0.169
H7	-1.815	-0.083	0.964
H8	1.995	-0.562	0.037
H9	0.797	-1.816	0.037

	C1	C2	N3	O4	H5	H6	H7	H8	H9
C1		1.5185	2.4387	2.4029	1.0931	1.0945	1.0950	3.3649	2.6180
C2	1.5185		1.3651	1.2198	2.1351	2.2042	2.1390	2.0448	2.0909
N3	2.4387	1.3651		2.2652	3.2096	2.5674	3.0962	1.0094	1.0069
O4	2.4029	1.2198	2.2652		2.6595	3.3079	2.7735	2.4972	3.1768
H5	1.0931	2.1351	3.2096	2.6595		1.7825	1.7627	4.0653	3.4778
H6	1.0945	2.2042	2.5674	3.3079	1.7825		1.7797	3.5759	2.3145
H7	1.0950	2.1390	3.0962	2.7735	1.7627	1.7797		3.9509	3.2694
H8	3.3649	2.0448	1.0094	2.4972	4.0653	3.5759	3.9509		1.7338
H9	2.6180	2.0909	1.0069	3.1768	3.4778	2.3145	3.2694	1.7338

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	115.393	C1	C2	O4	122.307
C2	C1	H5	108.582	C2	C1	H6	114.056
C2	C1	H7	108.775	C2	N3	H8	118.123
C2	N3	H9	122.931	N3	C2	O4	122.300
H5	C1	H6	109.144	H5	C1	H7	107.328
H6	C1	H7	108.747	H8	N3	H9	118.608

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	ESP
1	C	-0.605	-0.602
2	C	0.591	0.821
3	N	-0.782	-0.996
4	O	-0.501	-0.559
5	H	0.212	0.171
6	H	0.164	0.152
7	H	0.209	0.167
8	H	0.360	0.423
9	H	0.352	0.421

	x	y	z	Total
	-0.058	-3.752	0.188	3.757
CHELPG
AIM
ESP	-0.079	-3.776	0.200	3.782

	x	y	z
x	0.000	0.000	0.000
y	0.000	0.000	0.000
z	0.000	0.000	0.000

<r²>	74.936
(<r²>)^1/2	8.657

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)