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	hartrees
Energy at 0K	-247.297349
Energy at 298.15K	-247.302930
HF Energy	-247.297349
Nuclear repulsion energy	162.346577

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3700	3550	27.55
2	A	3573	3428	31.87
3	A	3268	3135	5.22
4	A	3180	3051	11.25
5	A	3161	3033	17.81
6	A	1785	1713	213.91
7	A	1703	1634	32.88
8	A	1651	1584	102.10
9	A	1463	1403	71.11
10	A	1370	1314	48.34
11	A	1299	1246	102.04
12	A	1119	1073	4.47
13	A	1041	999	3.92
14	A	1026	984	35.15
15	A	987	947	11.80
16	A	820	786	6.41
17	A	808	775	23.53
18	A	621	596	17.51
19	A	602	577	5.74
20	A	466	447	13.24
21	A	455	436	6.31
22	A	268	257	7.16
23	A	217	209	237.06
24	A	120	115	19.88

Atom	x (Å)	y (Å)	z (Å)
C1	-0.799	-0.656	-0.011
C2	0.478	0.133	-0.001
N3	1.615	-0.638	-0.017
O4	0.509	1.358	-0.003
C5	-1.980	-0.031	0.009
H6	-0.738	-1.744	-0.035
H7	2.508	-0.168	0.060
H8	1.594	-1.641	0.100
H9	-2.019	1.055	0.030
H10	-2.921	-0.573	0.004

	C1	C2	N3	O4	C5	H6	H7	H8	H9	H10
C1		1.5017	2.4144	2.4015	1.3365	1.0899	3.3435	2.5905	2.1026	2.1234
C2	1.5017		1.3739	1.2248	2.4635	2.2376	2.0527	2.0987	2.6625	3.4717
N3	2.4144	1.3739		2.2818	3.6461	2.6008	1.0115	1.0103	4.0099	4.5366
O4	2.4015	1.2248	2.2818		2.8496	3.3435	2.5156	3.1909	2.5462	3.9359
C5	1.3365	2.4635	3.6461	2.8496		2.1167	4.4900	3.9214	1.0869	1.0863
H6	1.0899	2.2376	2.6008	3.3435	2.1167		3.6098	2.3389	3.0796	2.4770
H7	3.3435	2.0527	1.0115	2.5156	4.4900	3.6098		1.7337	4.6895	5.4440
H8	2.5905	2.0987	1.0103	3.1909	3.9214	2.3389	1.7337		4.5094	4.6407
H9	2.1026	2.6625	4.0099	2.5462	1.0869	3.0796	4.6895	4.5094		1.8619
H10	2.1234	3.4717	4.5366	3.9359	1.0863	2.4770	5.4440	4.6407	1.8619

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	114.126	C1	C2	O4	123.152
C1	C5	H9	120.015	C1	C5	H10	122.083
C2	C1	C5	120.339	C2	C1	H6	118.530
C2	N3	H7	117.955	C2	N3	H8	122.609
N3	C2	O4	122.710	C5	C1	H6	121.131
H7	N3	H8	118.075	H9	C5	H10	117.902

All results from a given calculation for CH₂CHCONH₂ (Acrylamide)

using model chemistry: TPSSh/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	-0.171
2	C	0.594
3	N	-0.783
4	O	-0.520
5	C	-0.340
6	H	0.151
7	H	0.354
8	H	0.345
9	H	0.201
10	H	0.169

	x	y	z	Total
	0.427	-3.434	0.467	3.492
CHELPG
AIM
ESP

	x	y	z
x	8.770	-0.775	-0.013
y	-0.775	6.465	0.024
z	-0.013	0.024	2.486

<r²>	115.416
(<r²>)^1/2	10.743

All results from a given calculation for CH2CHCONH2 (Acrylamide)

using model chemistry: TPSSh/6-31G*

States and conformations

All results from a given calculation for CH₂CHCONH₂ (Acrylamide)