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	hartrees
Energy at 0K	-245.846903
Energy at 298.15K	-245.852798
Nuclear repulsion energy	160.787069

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3541	3522	15.46
2	A	3410	3391	17.58
3	A	3174	3157	5.28
4	A	3091	3074	13.86
5	A	3081	3064	7.23
6	A	1676	1667	93.75
7	A	1633	1624	72.16
8	A	1602	1593	43.94
9	A	1435	1427	45.93
10	A	1337	1330	16.24
11	A	1263	1256	137.86
12	A	1091	1085	6.23
13	A	1028	1022	5.63
14	A	1006	1001	36.35
15	A	968	962	15.52
16	A	815	810	45.10
17	A	767	763	8.17
18	A	628	624	31.81
19	A	604	601	4.24
20	A	480	477	80.87
21	A	464	461	5.94
22	A	419	417	173.82
23	A	278	277	8.59
24	A	150	149	6.48

Atom	x (Å)	y (Å)	z (Å)
C1	-0.801	-0.676	0.000
C2	0.475	0.130	0.000
N3	1.628	-0.640	-0.000
O4	0.494	1.384	0.000
C5	-1.980	-0.037	-0.000
H6	-0.731	-1.767	0.001
H7	2.531	-0.162	-0.000
H8	1.609	-1.661	0.000
H9	-1.984	1.056	-0.000
H10	-2.937	-0.561	-0.000

	C1	C2	N3	O4	C5	H6	H7	H8	H9	H10
C1		1.5088	2.4284	2.4332	1.3413	1.0936	3.3711	2.6033	2.0980	2.1392
C2	1.5088		1.3856	1.2551	2.4611	2.2481	2.0764	2.1193	2.6285	3.4812
N3	2.4284	1.3856		2.3202	3.6577	2.6145	1.0223	1.0211	3.9904	4.5649
O4	2.4332	1.2551	2.3202		2.8535	3.3815	2.5576	3.2432	2.5000	3.9440
C5	1.3413	2.4611	3.6577	2.8535		2.1336	4.5130	3.9395	1.0934	1.0907
H6	1.0936	2.2481	2.6145	3.3815	2.1336		3.6362	2.3430	3.0890	2.5135
H7	3.3711	2.0764	1.0223	2.5576	4.5130	3.6362		1.7599	4.6770	5.4824
H8	2.6033	2.1193	1.0211	3.2432	3.9395	2.3430	1.7599		4.5052	4.6770
H9	2.0980	2.6285	3.9904	2.5000	1.0934	3.0890	4.6770	4.5052		1.8769
H10	2.1392	3.4812	4.5649	3.9440	1.0907	2.5135	5.4824	4.6770	1.8769

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	114.004	C1	C2	O4	123.111
C1	C5	H9	118.657	C1	C5	H10	122.855
C2	C1	C5	119.309	C2	C1	H6	118.635
C2	N3	H7	118.382	C2	N3	H8	122.704
N3	C2	O4	122.884	C5	C1	H6	122.055
H7	N3	H8	118.914	H9	C5	H10	118.488

All results from a given calculation for CH₂CHCONH₂ (Acrylamide)

using model chemistry: BLYP/3-21G

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	-0.225
2	C	0.577
3	N	-0.697
4	O	-0.474
5	C	-0.308
6	H	0.155
7	H	0.300
8	H	0.292
9	H	0.203
10	H	0.175

	x	y	z	Total
	0.819	-3.293	0.001	3.393
CHELPG
AIM
ESP

<r²>	116.946
(<r²>)^1/2	10.814

All results from a given calculation for CH2CHCONH2 (Acrylamide)

using model chemistry: BLYP/3-21G

States and conformations

All results from a given calculation for CH₂CHCONH₂ (Acrylamide)