#!/bin/bash

#SBATCH -t 120:00:00
#SBATCH -N 2
#SBATCH -n 16
$ADFBIN/adf <<eor

Atoms
   1.C         0.436808   -1.083073   -4.106224
   2.C         0.730174    0.080379   -3.398224
   3.C         0.559689    0.091353   -1.992604
   4.C         0.096657   -1.070128   -1.328051
   5.C        -0.182988   -2.211593   -2.076155
   6.C        -0.014580   -2.214722   -3.449817
   7.C         0.853614    1.266352   -1.249792
   8.C         0.683604    1.277160    0.155883
   9.C         0.212581    0.086732    0.799363
  10.C        -0.064279   -1.028178    0.095181
  11.C         1.199507    1.271382   -4.041893
  12.C         1.478066    2.385736   -3.337492
  13.C         1.316358    2.427934   -1.914359
  14.C         1.598605    3.568547   -1.165905
  15.C         1.431184    3.571335    0.207877
  16.C         0.976663    2.440683    0.863852
  17.H        -0.237038   -3.108872   -4.014839
  18.H         0.566172   -1.095006   -5.179942
  19.H        -0.536000   -3.100715   -1.571652
  20.H        -0.416388   -1.920405    0.595048
  21.H         1.833366    3.276940   -3.836942
  22.H         1.327643    1.254022   -5.115785
  23.H         0.084935    0.103927    1.873318
  24.H         1.656559    4.464537    0.773265
  25.H         1.953951    4.456900   -1.670102
  26.H         0.849248    2.451989    1.937790
End

Unrestricted Yes
Charge -1.0 1.0

BASIS
type TZ2P
core None
END

XC
  HYBRID CAMY-B3LYP
  XCFUN
  RANGESEP GAMMA=0.34 ALPHA=0.19 BETA=0.46
END

RELATIVISTIC Scalar ZORA

NumericalQuality Good

eor
