atom

charge

f k +

f k

Δ f

C1

+0.634

−0.153

0.008

−0.161

C2

+0.469

−0.2

−0.064

−0.136

C3

+0.837

0.001

0

0.001

N1

−0.408

−0.018

−0.053

0.035

N2

−0.480

−0.022

−0.013

−0.009

C4

+0.124

−0.022

−0.141

0.119

N3

−0.348

−0.013

−0.086

0.073

C5

+0.826

−0.016

−0.009

−0.007

N4

−0.426

−0.013

−0.034

0.021

O1

−0.510

−0.135

−0.106

−0.029

O2

−0.536

−0.066

−0.100

0.034

O3

−0.482

−0.068

−0.166

0.098

C6

−0.480

0.011

0.009

0.002

C7

−0.491

0.014

0.014

0

C8

−0.490

0.015

0.014

0.001

C9

−0.484

0.013

0.019

−0.006