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	hartrees
Energy at 0K	-247.005635
Energy at 298.15K	-247.011044
Nuclear repulsion energy	161.724911

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3664	3614	30.56
2	A	3522	3474	31.10
3	A	3198	3154	2.72
4	A	3102	3060	9.16
5	A	3087	3045	13.23
6	A	1744	1720	188.17
7	A	1656	1633	25.77
8	A	1570	1548	114.16
9	A	1394	1375	81.23
10	A	1323	1305	35.49
11	A	1251	1234	66.31
12	A	1079	1064	2.06
13	A	999	986	2.62
14	A	985	972	27.16
15	A	940	927	13.62
16	A	797	786	6.15
17	A	784	773	18.30
18	A	609	601	9.47
19	A	591	583	6.32
20	A	455	448	9.31
21	A	449	443	6.20
22	A	268	264	7.13
23	A	158	156	145.67
24	A	111	110	76.99

Atom	x (Å)	y (Å)	z (Å)
C1	-0.800	-0.661	-0.008
C2	0.475	0.128	-0.002
N3	1.619	-0.639	-0.018
O4	0.510	1.362	-0.001
C5	-1.983	-0.028	0.007
H6	-0.743	-1.756	-0.026
H7	2.509	-0.157	0.058
H8	1.600	-1.647	0.094
H9	-2.001	1.066	0.022
H10	-2.933	-0.568	0.004

	C1	C2	N3	O4	C5	H6	H7	H8	H9	H10
C1		1.4993	2.4186	2.4101	1.3417	1.0971	3.3480	2.5962	2.1038	2.1351
C2	1.4993		1.3768	1.2348	2.4632	2.2441	2.0549	2.1032	2.6483	3.4785
N3	2.4186	1.3768		2.2876	3.6531	2.6131	1.0154	1.0145	4.0014	4.5521
O4	2.4101	1.2348	2.2876		2.8546	3.3611	2.5119	3.2017	2.5289	3.9472
C5	1.3417	2.4632	3.6531	2.8546		2.1269	4.4945	3.9322	1.0945	1.0926
H6	1.0971	2.2441	2.6131	3.3611	2.1269		3.6256	2.3487	3.0903	2.4912
H7	3.3480	2.0549	1.0154	2.5119	4.4945	3.6256		1.7459	4.6737	5.4580
H8	2.5962	2.1032	1.0145	3.2017	3.9322	2.3487	1.7459		4.5090	4.6599
H9	2.1038	2.6483	4.0014	2.5289	1.0945	3.0903	4.6737	4.5090		1.8812
H10	2.1351	3.4785	4.5521	3.9472	1.0926	2.4912	5.4580	4.6599	1.8812

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	114.414	C1	C2	O4	123.355
C1	C5	H9	119.091	C1	C5	H10	122.253
C2	C1	C5	120.129	C2	C1	H6	118.790
C2	N3	H7	117.618	C2	N3	H8	122.448
N3	C2	O4	122.225	C5	C1	H6	121.081
H7	N3	H8	118.651	H9	C5	H10	118.656

All results from a given calculation for CH₂CHCONH₂ (Acrylamide)

using model chemistry: PBEPBE/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	-0.102
2	C	0.513
3	N	-0.598
4	O	-0.480
5	C	-0.234
6	H	0.091
7	H	0.278
8	H	0.268
9	H	0.147
10	H	0.118

	x	y	z	Total
	0.589	-3.365	0.292	3.428
CHELPG
AIM
ESP

	x	y	z
x	9.121	-0.784	-0.003
y	-0.784	6.672	0.012
z	-0.003	0.012	2.555

<r²>	116.108
(<r²>)^1/2	10.775

All results from a given calculation for CH2CHCONH2 (Acrylamide)

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

States and conformations

All results from a given calculation for CH₂CHCONH₂ (Acrylamide)