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	hartrees
Energy at 0K	-39.280849
Energy at 298.15K	-39.286789
Nuclear repulsion energy	68.382850

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3971	3566	46.24
2	A	3833	3442	47.85
3	A	3344	3003	25.17
4	A	3312	2974	40.43
5	A	3243	2912	16.49
6	A	1956	1757	517.22
7	A	1784	1602	110.23
8	A	1618	1453	7.94
9	A	1602	1439	6.91
10	A	1549	1391	72.09
11	A	1443	1296	158.38
12	A	1228	1102	0.74
13	A	1157	1039	9.22
14	A	1073	963	16.21
15	A	913	820	1.71
16	A	691	620	29.75
17	A	588	528	29.09
18	A	542	487	10.40
19	A	446	401	5.10
20	A	286	257	310.16
21	A	37	33	5.17

Atom	x (Å)	y (Å)	z (Å)
C1	-1.354	-0.349	-0.001
C2	0.081	0.178	-0.012
N3	1.067	-0.778	-0.056
O4	0.336	1.360	0.009
H5	-1.975	0.326	-0.584
H6	-1.430	-1.361	-0.399
H7	-1.715	-0.345	1.029
H8	2.005	-0.467	0.103
H9	0.859	-1.737	0.132

	C1	C2	N3	O4	H5	H6	H7	H8	H9
C1		1.5286	2.4591	2.4033	1.0871	1.0897	1.0910	3.3624	2.6157
C2	1.5286		1.3740	1.2096	2.1390	2.1910	2.1408	2.0323	2.0720
N3	2.4591	1.3740		2.2610	3.2788	2.5870	3.0174	1.0012	0.9987
O4	2.4033	1.2096	2.2610		2.5998	3.2692	2.8554	2.4765	3.1435
H5	1.0871	2.1390	3.2788	2.5998		1.7822	1.7659	4.1157	3.5779
H6	1.0897	2.1910	2.5870	3.2692	1.7822		1.7751	3.5850	2.3804
H7	1.0910	2.1408	3.0174	2.8554	1.7659	1.7751		3.8356	3.0611
H8	3.3624	2.0323	1.0012	2.4765	4.1157	3.5850	3.8356		1.7108
H9	2.6157	2.0720	0.9987	3.1435	3.5779	2.3804	3.0611	1.7108

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	115.712	C1	C2	O4	122.303
C2	C1	H5	108.544	C2	C1	H6	112.529
C2	C1	H7	108.461	C2	N3	H8	116.787
C2	N3	H9	120.853	N3	C2	O4	121.984
H5	C1	H6	109.908	H5	C1	H7	108.335
H6	C1	H7	108.969	H8	N3	H9	117.614

All results from a given calculation for CH₃CONH₂ (Acetamide)

using model chemistry: HF/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	-0.339
2	C	0.026
3	N	-0.555
4	O	-0.262
5	H	0.157
6	H	0.110
7	H	0.131
8	H	0.373
9	H	0.359

	x	y	z	Total
	-0.302	-4.137	0.641	4.197
CHELPG
AIM
ESP

	x	y	z
x	4.557	-0.037	-0.028
y	-0.037	5.008	0.011
z	-0.028	0.011	3.102

<r²>	64.026
(<r²>)^1/2	8.002

All results from a given calculation for CH3CONH2 (Acetamide)

using model chemistry: HF/CEP-31G*

States and conformations

All results from a given calculation for CH₃CONH₂ (Acetamide)