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	hartrees
Energy at 0K	-206.815803
Energy at 298.15K	-206.822178
Nuclear repulsion energy	122.121208

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3908	3528	49.65
2	A	3780	3412	45.07
3	A	3326	3002	5.23
4	A	3264	2946	11.66
5	A	3211	2898	5.16
6	A	1918	1731	324.34
7	A	1812	1636	94.62
8	A	1657	1496	10.58
9	A	1635	1476	14.53
10	A	1556	1404	37.37
11	A	1440	1300	230.64
12	A	1243	1122	0.79
13	A	1191	1075	25.58
14	A	1088	982	16.13
15	A	875	789	0.69
16	A	734	662	167.01
17	A	596	538	141.38
18	A	591	533	18.97
19	A	530	479	115.47
20	A	448	404	3.76
21	A	110	99	0.02

Atom	x (Å)	y (Å)	z (Å)
C1	1.370	-0.274	0.000
C2	-0.085	0.155	-0.000
N3	-0.964	-0.882	-0.000
O4	-0.439	1.317	0.000
H5	1.991	0.607	-0.000
H6	1.586	-0.870	0.880
H7	1.586	-0.870	-0.880
H8	-1.941	-0.682	0.000
H9	-0.672	-1.833	0.000

	C1	C2	N3	O4	H5	H6	H7	H8	H9
C1		1.5162	2.4118	2.4092	1.0784	1.0843	1.0843	3.3361	2.5685
C2	1.5162		1.3595	1.2155	2.1247	2.1479	2.1479	2.0366	2.0721
N3	2.4118	1.3595		2.2610	3.3095	2.6974	2.6974	0.9974	0.9944
O4	2.4092	1.2155	2.2610		2.5322	3.1075	3.1077	2.5008	3.1583
H5	1.0784	2.1247	3.3095	2.5322		1.7663	1.7663	4.1387	3.6118
H6	1.0843	2.1479	2.6974	3.1075	1.7663		1.7596	3.6399	2.6074
H7	1.0843	2.1479	2.6974	3.1077	1.7663	1.7596		3.6400	2.6072
H8	3.3361	2.0366	0.9974	2.5008	4.1387	3.6399	3.6400		1.7130
H9	2.5685	2.0721	0.9944	3.1583	3.6118	2.6074	2.6072	1.7130

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	113.891	C1	C2	O4	123.387
C2	C1	H5	108.779	C2	C1	H6	110.267
C2	C1	H7	110.269	C2	N3	H8	118.760
C2	N3	H9	122.598	N3	C2	O4	122.721
H5	C1	H6	109.520	H5	C1	H7	109.519
H6	C1	H7	108.474	H8	N3	H9	118.642

All results from a given calculation for CH₃CONH₂ (Acetamide)

using model chemistry: HF/3-21G*

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
1	C	-0.691	-0.560
2	C	0.816	1.029
3	N	-0.930	-1.129
4	O	-0.625	-0.669
5	H	0.258	0.145
6	H	0.230	0.148
7	H	0.230	0.148
8	H	0.361	0.453
9	H	0.351	0.435

	x	y	z	Total
	0.546	-4.069	0.000	4.106
CHELPG	0.540	-4.076	0.000	4.111
AIM
ESP

	x	y	z
x	3.958	-0.049	-0.000
y	-0.049	4.654	0.000
z	-0.000	0.000	2.328

<r²>	74.666
(<r²>)^1/2	8.641

All results from a given calculation for CH3CONH2 (Acetamide)

using model chemistry: HF/3-21G*

States and conformations

All results from a given calculation for CH₃CONH₂ (Acetamide)