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	hartrees
Energy at 0K	-40.156207
Energy at 298.15K	-40.162233
Nuclear repulsion energy	67.195718

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3721	3626	16.26
2	A	3561	3471	19.71
3	A	3108	3029	29.86
4	A	3108	3028	12.71
5	A	3012	2935	13.82
6	A	1674	1632	292.11
7	A	1638	1596	103.85
8	A	1511	1473	15.58
9	A	1494	1456	11.92
10	A	1431	1394	42.44
11	A	1357	1323	171.97
12	A	1120	1091	1.70
13	A	1077	1049	8.48
14	A	1002	976	11.61
15	A	837	816	0.39
16	A	670	653	102.44
17	A	540	527	139.79
18	A	523	509	14.40
19	A	488	476	93.02
20	A	424	413	5.35
21	A	30	29	3.69

Atom	x (Å)	y (Å)	z (Å)
C1	1.367	-0.356	-0.000
C2	-0.075	0.165	-0.000
N3	-1.076	-0.796	-0.000
O4	-0.346	1.399	0.000
H5	1.884	0.034	0.884
H6	1.433	-1.450	-0.001
H7	1.884	0.036	-0.883
H8	-2.039	-0.483	0.000
H9	-0.879	-1.786	0.000

	C1	C2	N3	O4	H5	H6	H7	H8	H9
C1		1.5328	2.4829	2.4522	1.0958	1.0960	1.0958	3.4084	2.6634
C2	1.5328		1.3880	1.2639	2.1526	2.2088	2.1526	2.0683	2.1103
N3	2.4829	1.3880		2.3137	3.1988	2.5929	3.1996	1.0120	1.0094
O4	2.4522	1.2639	2.3137		2.7595	3.3584	2.7586	2.5319	3.2297
H5	1.0958	2.1526	3.1988	2.7595		1.7858	1.7674	4.0539	3.4249
H6	1.0960	2.2088	2.5929	3.3584	1.7858		1.7858	3.6036	2.3367
H7	1.0958	2.1526	3.1996	2.7586	1.7674	1.7858		4.0547	3.4262
H8	3.4084	2.0683	1.0120	2.5319	4.0539	3.6036	4.0547		1.7439
H9	2.6634	2.1103	1.0094	3.2297	3.4249	2.3367	3.4262	1.7439

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	116.346	C1	C2	O4	122.227
C2	C1	H5	108.814	C2	C1	H6	113.282
C2	C1	H7	108.812	C2	N3	H8	118.190
C2	N3	H9	122.564	N3	C2	O4	121.426
H5	C1	H6	109.132	H5	C1	H7	107.506
H6	C1	H7	109.135	H8	N3	H9	119.246

All results from a given calculation for CH₃CONH₂ (Acetamide)

using model chemistry: B3LYP/CEP-121G

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	-0.612
2	C	0.169
3	N	-0.509
4	O	-0.204
5	H	0.189
6	H	0.139
7	H	0.189
8	H	0.326
9	H	0.313

	x	y	z	Total
	0.156	-4.333	0.000	4.336
CHELPG
AIM
ESP

	x	y	z
x	5.425	0.222	0.001
y	0.222	5.897	0.001
z	0.001	0.001	3.419

<r²>	65.843
(<r²>)^1/2	8.114

All results from a given calculation for CH3CONH2 (Acetamide)

using model chemistry: B3LYP/CEP-121G

States and conformations

All results from a given calculation for CH₃CONH₂ (Acetamide)