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	hartrees
Energy at 0K	-247.129537
Energy at 298.15K	-247.135575
Nuclear repulsion energy	161.978420

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3774	3614	33.03
2	A	3632	3478	44.32
3	A	3288	3149	3.90
4	A	3194	3059	13.05
5	A	3178	3044	9.16
6	A	1745	1671	143.71
7	A	1705	1633	113.02
8	A	1670	1599	98.03
9	A	1478	1416	99.79
10	A	1395	1336	67.99
11	A	1334	1278	68.97
12	A	1131	1083	3.76
13	A	1075	1030	5.27
14	A	1038	994	67.11
15	A	1031	987	3.25
16	A	840	804	76.18
17	A	838	802	4.69
18	A	660	632	137.37
19	A	624	597	8.32
20	A	532	510	194.52
21	A	475	455	5.11
22	A	466	447	9.67
23	A	278	266	8.90
24	A	127	121	5.72

Atom	x (Å)	y (Å)	z (Å)
C1	-0.797	-0.656	-0.000
C2	0.473	0.117	-0.000
N3	1.616	-0.636	0.000
O4	0.509	1.367	-0.000
C5	-1.979	-0.031	0.000
H6	-0.736	-1.742	-0.001
H7	2.503	-0.160	0.000
H8	1.605	-1.642	0.001
H9	-2.016	1.055	0.001
H10	-2.918	-0.574	-0.000

	C1	C2	N3	O4	C5	H6	H7	H8	H9	H10
C1		1.4867	2.4128	2.4074	1.3369	1.0885	3.3374	2.5970	2.1002	2.1227
C2	1.4867		1.3685	1.2505	2.4568	2.2181	2.0488	2.0919	2.6601	3.4611
N3	2.4128	1.3685		2.2887	3.6455	2.5992	1.0074	1.0059	4.0062	4.5343
O4	2.4074	1.2505	2.2887		2.8538	3.3494	2.5116	3.2026	2.5442	3.9386
C5	1.3369	2.4568	3.6455	2.8538		2.1150	4.4842	3.9298	1.0863	1.0848
H6	1.0885	2.2181	2.5992	3.3494	2.1150		3.6056	2.3437	3.0759	2.4749
H7	3.3374	2.0488	1.0074	2.5116	4.4842	3.6056		1.7334	4.6797	5.4373
H8	2.5970	2.0919	1.0059	3.2026	3.9298	2.3437	1.7334		4.5152	4.6478
H9	2.1002	2.6601	4.0062	2.5442	1.0863	3.0759	4.6797	4.5152		1.8619
H10	2.1227	3.4611	4.5343	3.9386	1.0848	2.4749	5.4373	4.6478	1.8619

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	115.300	C1	C2	O4	122.940
C1	C5	H9	119.800	C1	C5	H10	122.106
C2	C1	C5	120.847	C2	C1	H6	118.109
C2	N3	H7	118.364	C2	N3	H8	122.797
N3	C2	O4	121.761	C5	C1	H6	121.044
H7	N3	H8	118.839	H9	C5	H10	118.094

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
1	C	-0.135
2	C	0.502
3	N	-0.783
4	O	-0.483
5	C	-0.322
6	H	0.157
7	H	0.355
8	H	0.344
9	H	0.204
10	H	0.163

	x	y	z	Total
	0.403	-3.854	0.002	3.875
CHELPG
AIM
ESP

<r²>	115.917
(<r²>)^1/2	10.766

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)