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	hartrees
Energy at 0K	-208.025681
Energy at 298.15K	-208.031609
Nuclear repulsion energy	122.904351

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3983	3602	36.95
2	A	3851	3483	39.52
3	A	3308	2991	16.21
4	A	3252	2941	28.77
5	A	3195	2889	11.35
6	A	1967	1779	473.49
7	A	1812	1639	113.68
8	A	1620	1465	8.86
9	A	1607	1453	10.80
10	A	1548	1400	78.68
11	A	1450	1312	150.27
12	A	1243	1124	0.83
13	A	1165	1053	7.74
14	A	1073	970	17.36
15	A	910	823	1.08
16	A	701	634	22.91
17	A	602	545	24.25
18	A	554	501	5.55
19	A	450	407	3.94
20	A	219	198	293.83
21	A	54	49	1.23

Atom	x (Å)	y (Å)	z (Å)
C1	-1.357	-0.322	-0.000
C2	0.079	0.155	-0.009
N3	1.013	-0.831	-0.030
O4	0.372	1.310	0.005
H5	-1.997	0.484	-0.323
H6	-1.504	-1.184	-0.642
H7	-1.636	-0.602	1.011
H8	1.964	-0.572	0.086
H9	0.772	-1.783	0.096

	C1	C2	N3	O4	H5	H6	H7	H8	H9
C1		1.5129	2.4246	2.3779	1.0793	1.0839	1.0856	3.3310	2.5835
C2	1.5129		1.3589	1.1919	2.1253	2.1671	2.1337	2.0224	2.0605
N3	2.4246	1.3589		2.2355	3.2987	2.6145	2.8556	0.9918	0.9895
O4	2.3779	1.1919	2.2355		2.5306	3.1870	2.9493	2.4658	3.1196
H5	1.0793	2.1253	3.2987	2.5306		1.7685	1.7575	4.1197	3.6034
H6	1.0839	2.1671	2.6145	3.1870	1.7685		1.7569	3.5956	2.4664
H7	1.0856	2.1337	2.8556	2.9493	1.7575	1.7569		3.7162	2.8336
H8	3.3310	2.0224	0.9918	2.4658	4.1197	3.5956	3.7162		1.6987
H9	2.5835	2.0605	0.9895	3.1196	3.6034	2.4664	2.8336	1.6987

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	115.083	C1	C2	O4	122.636
C2	C1	H5	109.001	C2	C1	H6	112.081
C2	C1	H7	109.295	C2	N3	H8	117.862
C2	N3	H9	121.869	N3	C2	O4	122.280
H5	C1	H6	109.686	H5	C1	H7	108.554
H6	C1	H7	108.158	H8	N3	H9	118.042

All results from a given calculation for CH₃CONH₂ (Acetamide)

using model chemistry: HF/6-311G*

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	-0.712	-0.431	-0.586
2	C	0.598	0.995	0.990
3	N	-0.879	-1.116	-1.120
4	O	-0.474	-0.672	-0.652
5	H	0.255	0.115	0.160
6	H	0.221	0.116	0.160
7	H	0.236	0.106	0.150
8	H	0.380	0.453	0.454
9	H	0.375	0.434	0.444

	x	y	z	Total
	-0.337	-3.993	0.449	4.032
CHELPG
AIM
ESP	-0.365	-4.010	0.482	4.055

	x	y	z
x	4.581	-0.026	0.004
y	-0.026	5.043	-0.006
z	0.004	-0.006	3.141

<r²>	74.106
(<r²>)^1/2	8.609

All results from a given calculation for CH3CONH2 (Acetamide)

using model chemistry: HF/6-311G*

States and conformations

All results from a given calculation for CH₃CONH₂ (Acetamide)