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	hartrees
Energy at 0K	-209.212203
Energy at 298.15K	-209.217790
Nuclear repulsion energy	121.239095

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3723	3575	28.02
2	A	3594	3452	28.87
3	A	3149	3024	11.47
4	A	3137	3013	16.78
5	A	3066	2945	8.05
6	A	1814	1742	312.14
7	A	1647	1582	98.44
8	A	1520	1459	8.01
9	A	1503	1444	5.67
10	A	1427	1370	45.91
11	A	1360	1306	129.85
12	A	1134	1089	0.37
13	A	1069	1027	7.84
14	A	995	955	7.72
15	A	846	812	2.24
16	A	675	648	17.25
17	A	543	522	14.78
18	A	520	500	7.21
19	A	430	413	4.42
20	A	134	129	235.04
21	A	38	36	11.13

Atom	x (Å)	y (Å)	z (Å)
C1	-1.366	-0.338	0.000
C2	0.078	0.148	-0.003
N3	1.029	-0.837	-0.020
O4	0.367	1.334	0.003
H5	-1.906	0.168	-0.805
H6	-1.471	-1.420	-0.124
H7	-1.836	-0.043	0.944
H8	1.998	-0.559	0.050
H9	0.803	-1.815	0.070

	C1	C2	N3	O4	H5	H6	H7	H8	H9
C1		1.5232	2.4469	2.4082	1.0935	1.0945	1.0949	3.3721	2.6247
C2	1.5232		1.3695	1.2213	2.1399	2.2069	2.1434	2.0474	2.0935
N3	2.4469	1.3695		2.2699	3.2005	2.5693	3.1255	1.0105	1.0080
O4	2.4082	1.2213	2.2699		2.6799	3.3137	2.7628	2.4995	3.1797
H5	1.0935	2.1399	3.2005	2.6799		1.7821	1.7632	4.0627	3.4691
H6	1.0945	2.2069	2.5693	3.3137	1.7821		1.7809	3.5786	2.3154
H7	1.0949	2.1434	3.1255	2.7628	1.7632	1.7809		3.9707	3.2961
H8	3.3721	2.0474	1.0105	2.4995	4.0627	3.5786	3.9707		1.7341
H9	2.6247	2.0935	1.0080	3.1797	3.4691	2.3154	3.2961	1.7341

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	115.436	C1	C2	O4	122.303
C2	C1	H5	108.614	C2	C1	H6	113.935
C2	C1	H7	108.807	C2	N3	H8	117.905
C2	N3	H9	122.688	N3	C2	O4	122.260
H5	C1	H6	109.069	H5	C1	H7	107.353
H6	C1	H7	108.862	H8	N3	H9	118.441

All results from a given calculation for CH₃CONH₂ (Acetamide)

using model chemistry: B3LYP/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	CHELPG	ESP
1	C	-0.530	-0.357	-0.534
2	C	0.579	0.788	0.797
3	N	-0.739	-0.953	-0.957
4	O	-0.495	-0.569	-0.555
5	H	0.188	0.105	0.155
6	H	0.141	0.086	0.134
7	H	0.185	0.097	0.147
8	H	0.340	0.407	0.408
9	H	0.332	0.395	0.405

	x	y	z	Total
	-0.069	-3.699	0.277	3.710
CHELPG	-0.074	-3.736	0.286	3.748
AIM
ESP	-0.092	-3.721	0.294	3.734

	x	y	z
x	5.043	-0.215	0.001
y	-0.215	5.325	-0.003
z	0.001	-0.003	2.907

<r²>	75.300
(<r²>)^1/2	8.678

All results from a given calculation for CH3CONH2 (Acetamide)

using model chemistry: B3LYP/6-31G*

States and conformations

All results from a given calculation for CH₃CONH₂ (Acetamide)