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	hartrees
Energy at 0K	-247.279294
Energy at 298.15K	-247.284603
Nuclear repulsion energy	161.396682

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3614	3605	16.18
2	A	3485	3476	18.44
3	A	3154	3146	7.84
4	A	3069	3061	11.30
5	A	3051	3044	22.59
6	A	1699	1695	204.35
7	A	1628	1624	44.69
8	A	1600	1596	91.68
9	A	1405	1402	59.61
10	A	1317	1314	27.27
11	A	1250	1247	114.63
12	A	1083	1081	4.41
13	A	1009	1006	5.73
14	A	983	980	34.46
15	A	939	937	14.49
16	A	787	785	20.04
17	A	781	779	6.63
18	A	609	607	5.06
19	A	596	595	7.02
20	A	454	453	6.74
21	A	452	450	11.58
22	A	271	270	6.58
23	A	133	133	25.24
24	A	71	71	199.38

Atom	x (Å)	y (Å)	z (Å)
C1	-0.808	-0.651	-0.003
C2	0.479	0.132	-0.001
N3	1.620	-0.647	-0.010
O4	0.526	1.363	-0.000
C5	-1.994	-0.028	0.003
H6	-0.753	-1.745	-0.012
H7	2.520	-0.180	0.029
H8	1.598	-1.659	0.048
H9	-2.036	1.063	0.010
H10	-2.937	-0.577	0.002

	C1	C2	N3	O4	C5	H6	H7	H8	H9	H10
C1		1.5065	2.4279	2.4155	1.3396	1.0953	3.3614	2.6093	2.1084	2.1299
C2	1.5065		1.3820	1.2314	2.4780	2.2454	2.0652	2.1130	2.6817	3.4884
N3	2.4279	1.3820		2.2886	3.6665	2.6146	1.0151	1.0138	4.0363	4.5571
O4	2.4155	1.2314	2.2886		2.8782	3.3606	2.5214	3.2071	2.5796	3.9689
C5	1.3396	2.4780	3.6665	2.8782		2.1183	4.5166	3.9453	1.0916	1.0910
H6	1.0953	2.2454	2.6146	3.3606	2.1183		3.6284	2.3536	3.0869	2.4762
H7	3.3614	2.0652	1.0151	2.5214	4.5166	3.6284		1.7433	4.7228	5.4713
H8	2.6093	2.1130	1.0138	3.2071	3.9453	2.3536	1.7433		4.5408	4.6623
H9	2.1084	2.6817	4.0363	2.5796	1.0916	3.0869	4.7228	4.5408		1.8708
H10	2.1299	3.4884	4.5571	3.9689	1.0910	2.4762	5.4713	4.6623	1.8708

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	114.327	C1	C2	O4	123.515
C1	C5	H9	119.934	C1	C5	H10	122.070
C2	C1	C5	120.960	C2	C1	H6	118.458
C2	N3	H7	118.173	C2	N3	H8	123.020
N3	C2	O4	122.155	C5	C1	H6	120.582
H7	N3	H8	118.465	H9	C5	H10	117.996

All results from a given calculation for CH₂CHCONH₂ (Acrylamide)

using model chemistry: BLYP/6-311G*

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	-0.268
2	C	0.437
3	N	-0.735
4	O	-0.331
5	C	-0.351
6	H	0.171
7	H	0.335
8	H	0.332
9	H	0.213
10	H	0.197

	x	y	z	Total
	0.558	-3.488	0.151	3.535
CHELPG
AIM
ESP

	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>	117.358
(<r²>)^1/2	10.833

All results from a given calculation for CH2CHCONH2 (Acrylamide)

using model chemistry: BLYP/6-311G*

States and conformations

All results from a given calculation for CH₂CHCONH₂ (Acrylamide)