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	hartrees
Energy at 0K	-45.823016
Energy at 298.15K	-45.828641
Nuclear repulsion energy	86.817152

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3708	3581	28.88
2	A	3577	3454	37.98
3	A	3251	3139	7.27
4	A	3168	3059	16.92
5	A	3150	3042	10.69
6	A	1767	1707	268.52
7	A	1697	1639	41.91
8	A	1622	1567	110.84
9	A	1426	1377	90.62
10	A	1344	1298	52.05
11	A	1268	1224	103.94
12	A	1099	1062	6.11
13	A	1021	986	61.50
14	A	1020	985	7.68
15	A	994	960	20.76
16	A	814	786	15.95
17	A	812	784	13.50
18	A	607	586	16.62
19	A	587	567	3.20
20	A	469	453	23.94
21	A	453	438	8.42
22	A	271	262	56.76
23	A	264	255	192.49
24	A	125	120	10.93

Atom	x (Å)	y (Å)	z (Å)
C1	-0.810	-0.669	-0.018
C2	0.464	0.150	-0.008
N3	1.632	-0.607	-0.044
O4	0.489	1.387	-0.003
C5	-2.018	-0.044	0.016
H6	-0.737	-1.762	-0.055
H7	2.504	-0.105	0.107
H8	1.617	-1.601	0.173
H9	-2.067	1.048	0.047
H10	-2.956	-0.611	0.011

	C1	C2	N3	O4	C5	H6	H7	H8	H9	H10
C1		1.5145	2.4425	2.4312	1.3607	1.0962	3.3639	2.6069	2.1290	2.1472
C2	1.5145		1.3922	1.2368	2.4905	2.2582	2.0590	2.1041	2.6868	3.5041
N3	2.4425	1.3922		2.2988	3.6939	2.6348	1.0181	1.0167	4.0538	4.5882
O4	2.4312	1.2368	2.2988		2.8871	3.3788	2.5096	3.1981	2.5791	3.9824
C5	1.3607	2.4905	3.6939	2.8871		2.1440	4.5240	3.9580	1.0941	1.0956
H6	1.0962	2.2582	2.6348	3.3788	2.1440		3.6434	2.3705	3.1107	2.5008
H7	3.3639	2.0590	1.0181	2.5096	4.5240	3.6434		1.7402	4.7151	5.4845
H8	2.6069	2.1041	1.0167	3.1981	3.9580	2.3705	1.7402		4.5397	4.6820
H9	2.1290	2.6868	4.0538	2.5791	1.0941	3.1107	4.7151	4.5397		1.8826
H10	2.1472	3.5041	4.5882	3.9824	1.0956	2.5008	5.4845	4.6820	1.8826

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	114.283	C1	C2	O4	123.860
C1	C5	H9	119.899	C1	C5	H10	121.522
C2	C1	C5	119.948	C2	C1	H6	118.889
C2	N3	H7	116.498	C2	N3	H8	120.938
N3	C2	O4	121.834	C5	C1	H6	121.163
H7	N3	H8	117.571	H9	C5	H10	118.579

All results from a given calculation for CH₂CHCONH₂ (Acrylamide)

using model chemistry: B3LYP/CEP-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	0.037
2	C	-0.305
3	N	-0.372
4	O	-0.122
5	C	-0.648
6	H	0.291
7	H	0.325
8	H	0.312
9	H	0.273
10	H	0.211

	x	y	z	Total
	0.257	-3.654	0.596	3.711
CHELPG
AIM
ESP

	x	y	z
x	9.107	-0.835	-0.058
y	-0.835	6.470	0.041
z	-0.058	0.041	3.272

<r²>	96.806
(<r²>)^1/2	9.839

All results from a given calculation for CH2CHCONH2 (Acrylamide)

using model chemistry: B3LYP/CEP-31G*

States and conformations

All results from a given calculation for CH₂CHCONH₂ (Acrylamide)