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	hartrees
Energy at 0K	-247.165275
Energy at 298.15K	-247.170635
HF Energy	-247.165275
Nuclear repulsion energy	161.614704

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3686	3622	35.61
2	A	3540	3480	34.36
3	A	3208	3153	4.21
4	A	3114	3061	12.18
5	A	3099	3046	17.90
6	A	1715	1685	259.09
7	A	1648	1619	46.11
8	A	1593	1566	105.93
9	A	1412	1388	70.05
10	A	1327	1304	42.45
11	A	1258	1236	116.07
12	A	1086	1067	3.01
13	A	1012	994	6.06
14	A	983	966	41.16
15	A	955	939	15.25
16	A	797	784	5.20
17	A	788	774	15.10
18	A	599	588	7.39
19	A	598	588	1.96
20	A	460	452	4.65
21	A	450	442	12.11
22	A	272	268	7.19
23	A	136	134	111.04
24	A	89	88	102.48

Atom	x (Å)	y (Å)	z (Å)
C1	0.804	-0.648	0.000
C2	-0.478	0.129	0.000
N3	-1.615	-0.647	-0.000
O4	-0.529	1.362	0.000
C5	1.994	-0.025	-0.000
H6	0.747	-1.740	0.000
H7	-2.513	-0.183	-0.000
H8	-1.588	-1.657	-0.000
H9	2.037	1.064	-0.001
H10	2.930	-0.582	-0.000

	C1	C2	N3	O4	C5	H6	H7	H8	H9	H10
C1		1.4993	2.4193	2.4127	1.3427	1.0931	3.3505	2.5965	2.1100	2.1264
C2	1.4993		1.3768	1.2342	2.4762	2.2345	2.0597	2.1031	2.6829	3.4808
N3	2.4193	1.3768		2.2837	3.6618	2.6025	1.0115	1.0103	4.0330	4.5451
O4	2.4127	1.2342	2.2837		2.8792	3.3544	2.5148	3.1994	2.5836	3.9679
C5	1.3427	2.4762	3.6618	2.8792		2.1201	4.5100	3.9362	1.0901	1.0892
H6	1.0931	2.2345	2.6025	3.3544	2.1201		3.6133	2.3367	3.0866	2.4709
H7	3.3505	2.0597	1.0115	2.5148	4.5100	3.6133		1.7405	4.7184	5.4579
H8	2.5965	2.1031	1.0103	3.1994	3.9362	2.3367	1.7405		4.5329	4.6441
H9	2.1100	2.6829	4.0330	2.5836	1.0901	3.0866	4.7184	4.5329		1.8726
H10	2.1264	3.4808	4.5451	3.9679	1.0892	2.4709	5.4579	4.6441	1.8726

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	114.616	C1	C2	O4	123.610
C1	C5	H9	119.846	C1	C5	H10	121.810
C2	C1	C5	121.030	C2	C1	H6	118.278
C2	N3	H7	117.986	C2	N3	H8	122.258
N3	C2	O4	121.775	C5	C1	H6	120.692
H7	N3	H8	118.271	H9	C5	H10	118.344

All results from a given calculation for CH₂CHCONH₂ (Acrylamide)

using model chemistry: B97D3/6-31+G**

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	0.178
2	C	0.234
3	N	-0.538
4	O	-0.516
5	C	-0.430
6	H	0.124
7	H	0.322
8	H	0.296
9	H	0.181
10	H	0.148

	x	y	z	Total
	-0.321	-3.689	-0.001	3.703
CHELPG
AIM
ESP

	x	y	z
x	10.144	0.871	-0.000
y	0.871	7.628	-0.000
z	-0.000	-0.000	4.652

<r²>	117.253
(<r²>)^1/2	10.828

All results from a given calculation for CH2CHCONH2 (Acrylamide)

using model chemistry: B97D3/6-31+G**

States and conformations

All results from a given calculation for CH₂CHCONH₂ (Acrylamide)