#!/bin/bash

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

Atoms
   1.C         1.733505    1.076413    2.162593
   2.C         0.823713    0.233770    4.737462
   3.C         1.342014    1.546400    4.543663
   4.N         1.689976    1.972667    3.316173
   5.C         0.468405   -0.185513    5.989377
   6.C         0.619093    0.662066    7.089924
   7.C         1.131170    1.950829    6.919595
   8.C         1.483903    2.398036    5.676583
   9.C         2.050627    3.362623    3.045037
  10.H         0.340659    0.319168    8.075651
  11.H         1.256352    2.597300    7.775294
  12.H         1.898545    3.386096    5.566874
  13.H         0.679649   -0.424431    3.897069
  14.H         0.063752   -1.177243    6.125755
  15.H         3.110371    3.520304    3.248366
  16.H         1.862992    3.565380    1.996160
  17.H         1.455215    4.040916    3.644259
  18.H         2.084754    0.092566    2.449965
  19.H         0.743448    0.998952    1.711972
  20.H         2.417681    1.493784    1.431985
End

Unrestricted Yes
Charge 0.0 0.0

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
