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	hartrees
Energy at 0K	-209.148965
Energy at 298.15K	-209.154482
Nuclear repulsion energy	120.207703

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3627	3599	18.11
2	A	3487	3461	14.79
3	A	3065	3041	12.59
4	A	3056	3032	18.54
5	A	2983	2960	10.65
6	A	1733	1719	264.32
7	A	1576	1564	80.62
8	A	1467	1456	6.00
9	A	1451	1440	4.50
10	A	1369	1359	27.42
11	A	1298	1288	131.33
12	A	1088	1080	0.18
13	A	1025	1017	5.36
14	A	951	944	7.54
15	A	806	799	3.42
16	A	654	649	13.56
17	A	522	518	13.15
18	A	503	499	7.82
19	A	416	413	4.34
20	A	138	136	203.96
21	A	43	43	6.08

Atom	x (Å)	y (Å)	z (Å)
C1	-1.379	-0.334	0.000
C2	0.078	0.148	-0.001
N3	1.032	-0.851	-0.024
O4	0.380	1.345	0.004
H5	-1.908	0.145	-0.837
H6	-1.493	-1.426	-0.084
H7	-1.864	0.004	0.929
H8	2.008	-0.573	0.053
H9	0.799	-1.833	0.084

	C1	C2	N3	O4	H5	H6	H7	H8	H9
C1		1.5357	2.4667	2.4320	1.0998	1.1006	1.1008	3.3959	2.6459
C2	1.5357		1.3821	1.2337	2.1551	2.2257	2.1583	2.0606	2.1105
N3	2.4667	1.3821		2.2912	3.2093	2.5902	3.1667	1.0170	1.0150
O4	2.4320	1.2337	2.2912		2.7168	3.3453	2.7727	2.5163	3.2066
H5	1.0998	2.1551	3.2093	2.7168		1.7909	1.7717	4.0793	3.4772
H6	1.1006	2.2257	2.5902	3.3453	1.7909		1.7909	3.6052	2.3338
H7	1.1008	2.1583	3.1667	2.7727	1.7717	1.7909		4.0113	3.3440
H8	3.3959	2.0606	1.0170	2.5163	4.0793	3.6052	4.0113		1.7459
H9	2.6459	2.1105	1.0150	3.2066	3.4772	2.3338	3.3440	1.7459

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	115.330	C1	C2	O4	122.465
C2	C1	H5	108.585	C2	C1	H6	114.165
C2	C1	H7	108.777	C2	N3	H8	117.583
C2	N3	H9	122.656	N3	C2	O4	122.202
H5	C1	H6	108.962	H5	C1	H7	107.242
H6	C1	H7	108.889	H8	N3	H9	118.463

All results from a given calculation for CH₃CONH₂ (Acetamide)

using model chemistry: BLYP/6-31G**

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	-0.348
2	C	0.511
3	N	-0.545
4	O	-0.466
5	H	0.134
6	H	0.082
7	H	0.131
8	H	0.256
9	H	0.245

	x	y	z	Total
	-0.041	-3.558	0.287	3.570
CHELPG
AIM
ESP

<r²>	76.368
(<r²>)^1/2	8.739

All results from a given calculation for CH3CONH2 (Acetamide)

using model chemistry: BLYP/6-31G**

States and conformations

All results from a given calculation for CH₃CONH₂ (Acetamide)