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	hartrees
Energy at 0K	-247.195911
Energy at 298.15K	-247.201440
Nuclear repulsion energy	162.766367

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3748	3585	37.46
2	A	3618	3461	45.43
3	A	3278	3136	2.90
4	A	3188	3050	10.01
5	A	3174	3036	12.59
6	A	1815	1736	232.96
7	A	1719	1645	30.71
8	A	1647	1576	127.60
9	A	1454	1391	94.47
10	A	1374	1315	51.61
11	A	1302	1245	75.76
12	A	1124	1075	2.44
13	A	1043	998	3.69
14	A	1021	977	36.10
15	A	989	947	12.48
16	A	826	791	6.63
17	A	818	783	27.16
18	A	624	597	12.70
19	A	612	585	6.53
20	A	470	450	9.48
21	A	464	444	7.18
22	A	275	263	7.37
23	A	171	164	199.57
24	A	109	104	61.49

Atom	x (Å)	y (Å)	z (Å)
C1	0.798	-0.654	-0.010
C2	-0.475	0.128	-0.003
N3	-1.609	-0.634	-0.017
O4	-0.510	1.350	-0.002
C5	1.973	-0.027	0.008
H6	0.741	-1.742	-0.031
H7	-2.497	-0.161	0.059
H8	-1.591	-1.635	0.096
H9	2.003	1.059	0.026
H10	2.915	-0.567	0.005

	C1	C2	N3	O4	C5	H6	H7	H8	H9	H10
C1		1.4937	2.4071	2.3934	1.3325	1.0895	3.3323	2.5842	2.0953	2.1196
C2	1.4937		1.3672	1.2227	2.4528	2.2309	2.0440	2.0895	2.6470	3.4607
N3	2.4071	1.3672		2.2689	3.6338	2.5985	1.0091	1.0076	3.9899	4.5253
O4	2.3934	1.2227	2.2689		2.8398	3.3361	2.4972	3.1769	2.5300	3.9257
C5	1.3325	2.4528	3.6338	2.8398		2.1120	4.4727	3.9111	1.0869	1.0861
H6	1.0895	2.2309	2.5985	3.3361	2.1120		3.6050	2.3378	3.0729	2.4715
H7	3.3323	2.0440	1.0091	2.4972	4.4727	3.6050		1.7315	4.6627	5.4281
H8	2.5842	2.0895	1.0076	3.1769	3.9111	2.3378	1.7315		4.4924	4.6319
H9	2.0953	2.6470	3.9899	2.5300	1.0869	3.0729	4.6627	4.4924		1.8652
H10	2.1196	3.4607	4.5253	3.9257	1.0861	2.4715	5.4281	4.6319	1.8652

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	114.501	C1	C2	O4	123.251
C1	C5	H9	119.654	C1	C5	H10	122.083
C2	C1	C5	120.323	C2	C1	H6	118.621
C2	N3	H7	117.882	C2	N3	H8	122.528
N3	C2	O4	122.243	C5	C1	H6	121.056
H7	N3	H8	118.316	H9	C5	H10	118.263

All results from a given calculation for CH₂CHCONH₂ (Acrylamide)

using model chemistry: B3PW91/6-31G*

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	ESP
1	C	-0.176	-0.305
2	C	0.592	0.739
3	N	-0.799	-0.954
4	O	-0.518	-0.524
5	C	-0.354	-0.262
6	H	0.157	0.160
7	H	0.362	0.419
8	H	0.354	0.405
9	H	0.208	0.161
10	H	0.176	0.160

	x	y	z	Total
	-0.455	-3.499	0.319	3.543
CHELPG
AIM
ESP	-0.440	-3.504	0.379	3.552

	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>	114.928
(<r²>)^1/2	10.720

All results from a given calculation for CH2CHCONH2 (Acrylamide)

using model chemistry: B3PW91/6-31G*

States and conformations

All results from a given calculation for CH₂CHCONH₂ (Acrylamide)