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	hartrees
Energy at 0K	-209.142949
Energy at 298.15K	-209.148463
Nuclear repulsion energy	122.039500

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3782	3622	36.96
2	A	3638	3484	35.63
3	A	3186	3052	6.20
4	A	3146	3013	11.84
5	A	3068	2938	5.51
6	A	1834	1756	307.00
7	A	1613	1545	111.84
8	A	1482	1419	9.58
9	A	1464	1403	7.62
10	A	1397	1337	103.18
11	A	1342	1285	56.93
12	A	1115	1068	0.85
13	A	1045	1001	5.60
14	A	975	933	5.44
15	A	851	815	1.85
16	A	665	637	8.41
17	A	542	519	13.24
18	A	518	496	5.39
19	A	413	395	3.81
20	A	102	98	184.27
21	A	36	35	5.36

Atom	x (Å)	y (Å)	z (Å)
C1	-1.362	-0.311	-0.001
C2	0.079	0.151	-0.010
N3	1.001	-0.850	-0.007
O4	0.394	1.321	0.001
H5	-1.970	0.437	-0.506
H6	-1.502	-1.283	-0.478
H7	-1.706	-0.385	1.034
H8	1.973	-0.601	0.042
H9	0.747	-1.819	0.009

	C1	C2	N3	O4	H5	H6	H7	H8	H9
C1		1.5140	2.4238	2.3974	1.0881	1.0913	1.0929	3.3476	2.5925
C2	1.5140		1.3609	1.2112	2.1280	2.1857	2.1367	2.0378	2.0803
N3	2.4238	1.3609		2.2545	3.2761	2.5835	2.9372	1.0043	1.0017
O4	2.3974	1.2112	2.2545		2.5744	3.2564	2.8960	2.4876	3.1597
H5	1.0881	2.1280	3.2761	2.5744		1.7823	1.7650	4.1137	3.5686
H6	1.0913	2.1857	2.5835	3.2564	1.7823		1.7698	3.5789	2.3626
H7	1.0929	2.1367	2.9372	2.8960	1.7650	1.7698		3.8163	3.0206
H8	3.3476	2.0378	1.0043	2.4876	4.1137	3.5789	3.8163		1.7284
H9	2.5925	2.0803	1.0017	3.1597	3.5686	2.3626	3.0206	1.7284

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	114.829	C1	C2	O4	122.822
C2	C1	H5	108.626	C2	C1	H6	113.052
C2	C1	H7	109.028	C2	N3	H8	118.204
C2	N3	H9	122.681	N3	C2	O4	122.338
H5	C1	H6	109.730	H5	C1	H7	108.044
H6	C1	H7	108.242	H8	N3	H9	118.997

All results from a given calculation for CH₃CONH₂ (Acetamide)

using model chemistry: B1B95/6-31G(2df,p)

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	-0.503
2	C	0.426
3	N	-0.547
4	O	-0.369
5	H	0.164
6	H	0.128
7	H	0.160
8	H	0.273
9	H	0.269

	x	y	z	Total
	-0.117	-3.650	0.139	3.654
CHELPG
AIM
ESP

	x	y	z
x	5.303	-0.151	0.000
y	-0.151	5.460	0.002
z	0.000	0.002	3.322

<r²>	74.312
(<r²>)^1/2	8.620

All results from a given calculation for CH3CONH2 (Acetamide)

using model chemistry: B1B95/6-31G(2df,p)

States and conformations

All results from a given calculation for CH₃CONH₂ (Acetamide)