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	hartrees
Energy at 0K	-40.205123
Energy at 298.15K	-40.210778
Nuclear repulsion energy	67.450407

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3716	3589	27.24
2	A	3581	3458	28.87
3	A	3146	3038	19.70
4	A	3136	3029	27.31
5	A	3063	2958	12.18
6	A	1776	1715	375.27
7	A	1622	1567	91.93
8	A	1491	1440	9.21
9	A	1472	1422	8.20
10	A	1402	1354	65.76
11	A	1329	1284	129.96
12	A	1107	1069	0.29
13	A	1049	1013	8.12
14	A	973	940	8.02
15	A	836	807	1.05
16	A	648	626	13.54
17	A	527	509	14.22
18	A	511	493	15.16
19	A	417	402	4.05
20	A	200	193	254.08
21	A	54	52	1.57

Atom	x (Å)	y (Å)	z (Å)
C1	1.366	-0.353	-0.001
C2	-0.080	0.176	-0.003
N3	-1.073	-0.794	0.045
O4	-0.345	1.383	-0.007
H5	1.852	-0.031	0.935
H6	1.434	-1.451	-0.080
H7	1.909	0.112	-0.839
H8	-2.035	-0.476	-0.053
H9	-0.871	-1.775	-0.124

	C1	C2	N3	O4	H5	H6	H7	H8	H9
C1		1.5404	2.4786	2.4373	1.1029	1.1031	1.1019	3.4039	2.6535
C2	1.5404		1.3883	1.2350	2.1579	2.2246	2.1594	2.0614	2.1087
N3	2.4786	1.3883		2.2953	3.1508	2.5945	3.2395	1.0183	1.0159
O4	2.4373	1.2350	2.2953		2.7769	3.3468	2.7181	2.5130	3.2032
H5	1.1029	2.1579	3.1508	2.7769		1.7957	1.7808	4.0354	3.4028
H6	1.1031	2.2246	2.5945	3.3468	1.7957		1.8017	3.6037	2.3281
H7	1.1019	2.1594	3.2395	2.7181	1.7808	1.8017		4.0650	3.4356
H8	3.4039	2.0614	1.0183	2.5130	4.0354	3.6037	4.0650		1.7454
H9	2.6535	2.1087	1.0159	3.2032	3.4028	2.3281	3.4356	1.7454

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	115.526	C1	C2	O4	122.467
C2	C1	H5	108.308	C2	C1	H6	113.573
C2	C1	H7	108.476	C2	N3	H8	117.038
C2	N3	H9	121.821	N3	C2	O4	121.974
H5	C1	H6	108.976	H5	C1	H7	107.746
H6	C1	H7	109.597	H8	N3	H9	118.199

All results from a given calculation for CH₃CONH₂ (Acetamide)

using model chemistry: B3LYP/CEP-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
1	C	-0.462
2	C	-0.147
3	N	-0.387
4	O	-0.137
5	H	0.177
6	H	0.137
7	H	0.178
8	H	0.329
9	H	0.312

	x	y	z	Total
	0.099	-3.915	-0.414	3.939
CHELPG
AIM
ESP

	x	y	z
x	5.271	0.129	-0.004
y	0.129	5.484	-0.020
z	-0.004	-0.020	3.220

<r²>	65.076
(<r²>)^1/2	8.067

All results from a given calculation for CH3CONH2 (Acetamide)

using model chemistry: B3LYP/CEP-31G*

States and conformations

All results from a given calculation for CH₃CONH₂ (Acetamide)