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	hartrees
Energy at 0K	-246.994480
Energy at 298.15K	-246.999978
HF Energy	-246.994480
Nuclear repulsion energy	161.617418

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3631	3571	26.00
2	A	3502	3444	27.84
3	A	3196	3144	3.43
4	A	3106	3055	7.87
5	A	3087	3036	16.18
6	A	1747	1718	187.25
7	A	1659	1632	25.87
8	A	1592	1566	103.58
9	A	1406	1383	77.59
10	A	1330	1308	40.01
11	A	1259	1238	70.79
12	A	1087	1069	3.36
13	A	1008	992	2.95
14	A	987	970	27.76
15	A	938	922	15.52
16	A	801	788	6.93
17	A	785	772	20.21
18	A	610	600	14.65
19	A	590	580	4.83
20	A	457	449	9.98
21	A	449	441	8.52
22	A	268	263	6.88
23	A	215	211	220.24
24	A	119	117	18.60

Atom	x (Å)	y (Å)	z (Å)
C1	0.801	-0.657	-0.011
C2	-0.481	0.135	-0.002
N3	-1.619	-0.643	-0.016
O4	-0.513	1.364	-0.003
C5	1.988	-0.031	0.010
H6	0.740	-1.754	-0.037
H7	-2.517	-0.172	0.061
H8	-1.595	-1.653	0.099
H9	2.027	1.063	0.032
H10	2.936	-0.578	0.005

	C1	C2	N3	O4	C5	H6	H7	H8	H9	H10
C1		1.5073	2.4205	2.4118	1.3424	1.0981	3.3547	2.5971	2.1134	2.1359
C2	1.5073		1.3789	1.2300	2.4747	2.2492	2.0606	2.1087	2.6747	3.4902
N3	2.4205	1.3789		2.2921	3.6591	2.6078	1.0171	1.0161	4.0263	4.5553
O4	2.4118	1.2300	2.2921		2.8645	3.3608	2.5263	3.2067	2.5587	3.9585
C5	1.3424	2.4747	3.6591	2.8645		2.1277	4.5082	3.9342	1.0952	1.0942
H6	1.0981	2.2492	2.6078	3.3608	2.1277		3.6226	2.3416	3.0978	2.4904
H7	3.3547	2.0606	1.0171	2.5263	4.5082	3.6226		1.7444	4.7098	5.4684
H8	2.5971	2.1087	1.0161	3.2067	3.9342	2.3416	1.7444		4.5279	4.6573
H9	2.1134	2.6747	4.0263	2.5587	1.0952	3.0978	4.7098	4.5279		1.8764
H10	2.1359	3.4902	4.5553	3.9585	1.0942	2.4904	5.4684	4.6573	1.8764

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	113.921	C1	C2	O4	123.229
C1	C5	H9	119.883	C1	C5	H10	122.139
C2	C1	C5	120.443	C2	C1	H6	118.536
C2	N3	H7	117.843	C2	N3	H8	122.670
N3	C2	O4	122.841	C5	C1	H6	121.022
H7	N3	H8	118.178	H9	C5	H10	117.978

All results from a given calculation for CH₂CHCONH₂ (Acrylamide)

using model chemistry: PBEPBEultrafine/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	-0.138
2	C	0.528
3	N	-0.733
4	O	-0.478
5	C	-0.328
6	H	0.133
7	H	0.340
8	H	0.331
9	H	0.187
10	H	0.158

	x	y	z	Total
	-0.544	-3.349	0.448	3.423
CHELPG
AIM
ESP

	x	y	z
x	9.069	0.777	0.009
y	0.777	6.619	0.024
z	0.009	0.024	2.511

<r²>	116.273
(<r²>)^1/2	10.783

All results from a given calculation for CH2CHCONH2 (Acrylamide)

using model chemistry: PBEPBEultrafine/6-31G*

States and conformations

All results from a given calculation for CH₂CHCONH₂ (Acrylamide)