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	hartrees
Energy at 0K	-209.233147
Energy at 298.15K	-209.238646
Nuclear repulsion energy	120.698615

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3616	3606	22.04
2	A	3482	3472	16.82
3	A	3043	3034	12.52
4	A	3037	3028	15.71
5	A	2974	2965	11.12
6	A	1695	1690	297.65
7	A	1572	1567	74.28
8	A	1455	1451	6.61
9	A	1440	1436	6.36
10	A	1360	1356	27.10
11	A	1290	1286	142.02
12	A	1085	1082	0.28
13	A	1025	1022	2.53
14	A	951	948	11.64
15	A	802	799	3.72
16	A	653	651	7.23
17	A	527	525	11.76
18	A	507	506	5.87
19	A	419	417	4.51
20	A	121	121	163.62
21	A	33	33	8.81

Atom	x (Å)	y (Å)	z (Å)
C1	1.372	-0.344	-0.000
C2	-0.077	0.147	-0.001
N3	-1.039	-0.837	-0.010
O4	-0.363	1.341	0.002
H5	1.858	0.003	0.919
H6	1.474	-1.433	-0.068
H7	1.898	0.118	-0.843
H8	-2.012	-0.556	0.025
H9	-0.813	-1.821	0.032

	C1	C2	N3	O4	H5	H6	H7	H8	H9
C1		1.5300	2.4609	2.4195	1.0960	1.0959	1.0952	3.3908	2.6380
C2	1.5300		1.3766	1.2279	2.1475	2.2153	2.1462	2.0594	2.1023
N3	2.4609	1.3766		2.2806	3.1561	2.5833	3.1982	1.0133	1.0106
O4	2.4195	1.2279	2.2806		2.7514	3.3287	2.7060	2.5137	3.1945
H5	1.0960	2.1475	3.1561	2.7514		1.7841	1.7657	4.0113	3.3542
H6	1.0959	2.2153	2.5833	3.3287	1.7841		1.7851	3.5957	2.3222
H7	1.0952	2.1462	3.1982	2.7060	1.7657	1.7851		4.0610	3.4460
H8	3.3908	2.0594	1.0133	2.5137	4.0113	3.5957	4.0610		1.7425
H9	2.6380	2.1023	1.0106	3.1945	3.3542	2.3222	3.4460	1.7425

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	115.598	C1	C2	O4	122.261
C2	C1	H5	108.602	C2	C1	H6	114.036
C2	C1	H7	108.545	C2	N3	H8	118.225
C2	N3	H9	122.701	N3	C2	O4	122.141
H5	C1	H6	108.968	H5	C1	H7	107.375
H6	C1	H7	109.110	H8	N3	H9	118.854

All results from a given calculation for CH₃CONH₂ (Acetamide)

using model chemistry: BLYP/cc-pVTZ

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	-0.286
2	C	0.208
3	N	-0.203
4	O	-0.315
5	H	0.114
6	H	0.071
7	H	0.115
8	H	0.151
9	H	0.144

	x	y	z	Total
	0.020	-3.709	0.110	3.711
CHELPG
AIM
ESP

	x	y	z
x	0.000	0.000	0.000
y	0.000	0.000	0.000
z	0.000	0.000	0.000

<r²>	76.324
(<r²>)^1/2	8.736

All results from a given calculation for CH3CONH2 (Acetamide)

using model chemistry: BLYP/cc-pVTZ

States and conformations

All results from a given calculation for CH₃CONH₂ (Acetamide)