1C

2C

3C

4C

5C

6C

7C

x

−0.19421

0.00254

1.27959

2.38157

2.21356

0.93647

−1.53606

y

0.63409

−0.75304

−1.29674

−0.45156

0.93161

1.46144

1.25157

z

0.00125

0.00031

−0.00087

−0.00083

0.00025

0.0012

0.00253

8Cl

9H

10H

11H

12H

13O

14H

x

−1.349

1.40736

3.3749

3.07459

0.77891

−1.72709

−2.3868

y

−1.8644

−2.36923

−0.87918

1.58484

2.53108

2.45093

0.55561

z

−0.00028

−0.00134

−0.00117

0.001

0.00274

−0.00357

0.00909