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	hartrees
Energy at 0K	-247.392463
Energy at 298.15K	-247.398079
HF Energy	-247.392463
Nuclear repulsion energy	162.868394

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3725	3596	41.62
2	A	3592	3467	50.07
3	A	3241	3129	1.88
4	A	3155	3046	11.47
5	A	3145	3036	7.91
6	A	1761	1700	263.95
7	A	1689	1631	50.81
8	A	1624	1568	119.05
9	A	1444	1394	77.62
10	A	1357	1310	45.66
11	A	1290	1246	121.33
12	A	1115	1076	2.88
13	A	1040	1004	5.90
14	A	1017	981	49.35
15	A	1004	969	5.21
16	A	816	788	20.53
17	A	811	783	6.17
18	A	620	599	8.33
19	A	609	588	3.00
20	A	470	454	4.71
21	A	467	451	11.53
22	A	279	269	7.35
23	A	204	196	199.27
24	A	110	106	15.57

Atom	x (Å)	y (Å)	z (Å)
C1	0.804	-0.645	-0.014
C2	-0.480	0.133	-0.016
N3	-1.606	-0.642	0.023
O4	-0.522	1.349	-0.007
C5	1.979	-0.026	0.011
H6	0.745	-1.729	-0.037
H7	-2.503	-0.184	0.018
H8	-1.577	-1.644	-0.036
H9	2.025	1.056	0.034
H10	2.912	-0.575	0.027

	C1	C2	N3	O4	C5	H6	H7	H8	H9	H10
C1		1.5010	2.4099	2.3944	1.3281	1.0860	3.3387	2.5818	2.0943	2.1099
C2	1.5010		1.3675	1.2165	2.4641	2.2289	2.0480	2.0889	2.6700	3.4655
N3	2.4099	1.3675		2.2668	3.6372	2.5905	1.0070	1.0049	4.0082	4.5184
O4	2.3944	1.2165	2.2668		2.8543	3.3286	2.5048	3.1739	2.5643	3.9368
C5	1.3281	2.4641	3.6372	2.8543		2.1033	4.4845	3.9065	1.0836	1.0828
H6	1.0860	2.2289	2.5905	3.3286	2.1033		3.5967	2.3228	3.0659	2.4561
H7	3.3387	2.0480	1.0070	2.5048	4.4845	3.5967		1.7303	4.6947	5.4291
H8	2.5818	2.0889	1.0049	3.1739	3.9065	2.3228	1.7303		4.5021	4.6146
H9	2.0943	2.6700	4.0082	2.5643	1.0836	3.0659	4.6947	4.5021		1.8569
H10	2.1099	3.4655	4.5184	3.9368	1.0828	2.4561	5.4291	4.6146	1.8569

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	114.227	C1	C2	O4	123.208
C1	C5	H9	120.210	C1	C5	H10	121.794
C2	C1	C5	121.023	C2	C1	H6	118.094
C2	N3	H7	118.402	C2	N3	H8	122.670
N3	C2	O4	122.522	C5	C1	H6	120.882
H7	N3	H8	118.632	H9	C5	H10	117.986

All results from a given calculation for CH₂CHCONH₂ (Acrylamide)

using model chemistry: B3LYP/TZVP

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	-0.167
2	C	0.260
3	N	-0.393
4	O	-0.358
5	C	-0.222
6	H	0.122
7	H	0.246
8	H	0.239
9	H	0.151
10	H	0.123

	x	y	z	Total
	0.325	-3.694	-0.000	3.709
CHELPG
AIM
ESP

	x	y	z
x	9.351	-0.887	-0.000
y	-0.887	7.081	0.000
z	-0.000	0.000	4.034

<r²>	115.787
(<r²>)^1/2	10.760

All results from a given calculation for CH2CHCONH2 (Acrylamide)

using model chemistry: B3LYP/TZVP

States and conformations

All results from a given calculation for CH₂CHCONH₂ (Acrylamide)