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	hartrees
Energy at 0K	-209.145726
Energy at 298.15K	-209.151361
HF Energy	-209.145726
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3781	3586	37.82
2	A	3650	3462	37.77
3	A	3203	3038	6.49
4	A	3158	2996	14.94
5	A	3084	2926	7.02
6	A	1858	1762	332.54
7	A	1660	1575	119.31
8	A	1525	1446	11.41
9	A	1512	1434	9.38
10	A	1437	1363	87.46
11	A	1377	1306	90.82
12	A	1146	1087	0.79
13	A	1074	1018	8.62
14	A	1003	951	6.47
15	A	861	816	1.72
16	A	663	629	15.16
17	A	556	528	15.60
18	A	514	488	6.58
19	A	432	410	4.20
20	A	140	133	257.45
21	A	52	49	6.69

Atom	x (Å)	y (Å)	z (Å)
C1	-1.373	-0.293	0.000
C2	0.081	0.156	-0.000
N3	0.990	-0.870	-0.030
O4	0.417	1.324	0.004
H5	-2.010	0.589	-0.060
H6	-1.581	-0.952	-0.850
H7	-1.608	-0.845	0.917
H8	1.966	-0.635	0.067
H9	0.716	-1.831	0.103

	C1	C2	N3	O4	H5	H6	H7	H8	H9
C1		1.5219	2.4318	2.4120	1.0898	1.0956	1.0958	3.3570	2.5959
C2	1.5219		1.3706	1.2148	2.1362	2.1714	2.1671	2.0453	2.0883
N3	2.4318	1.3706		2.2674	3.3353	2.6997	2.7648	1.0091	1.0076
O4	2.4120	1.2148	2.2674		2.5362	3.1467	3.1040	2.4982	3.1700
H5	1.0898	2.1362	3.3353	2.5362		1.7838	1.7812	4.1619	3.6486
H6	1.0956	2.1714	2.6997	3.1467	1.7838		1.7712	3.6777	2.6384
H7	1.0958	2.1671	2.7648	3.1040	1.7812	1.7712		3.6797	2.6527
H8	3.3570	2.0453	1.0091	2.4982	4.1619	3.6777	3.6797		1.7297
H9	2.5959	2.0883	1.0076	3.1700	3.6486	2.6384	2.6527	1.7297

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	114.332	C1	C2	O4	123.213
C2	C1	H5	108.622	C2	C1	H6	111.057
C2	C1	H7	110.705	C2	N3	H8	117.715
C2	N3	H9	122.091	N3	C2	O4	122.446
H5	C1	H6	109.416	H5	C1	H7	109.168
H6	C1	H7	107.847	H8	N3	H9	118.120

All results from a given calculation for CH₃CONH₂ (Acetamide)

using model chemistry: wB97X-D/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	-0.600
2	C	0.590
3	N	-0.787
4	O	-0.503
5	H	0.212
6	H	0.169
7	H	0.202
8	H	0.363
9	H	0.354

	x	y	z	Total
	-0.164	-3.804	0.330	3.822
CHELPG
AIM
ESP

	x	y	z
x	4.844	-0.140	-0.004
y	-0.140	5.274	0.003
z	-0.004	0.003	2.939

<r²>	74.831
(<r²>)^1/2	8.650

All results from a given calculation for CH3CONH2 (Acetamide)

using model chemistry: wB97X-D/6-31G*

States and conformations

All results from a given calculation for CH₃CONH₂ (Acetamide)