#!/bin/bash

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

Atoms
   1.C         0.428200   -1.119821   -4.129060
   2.C         0.733923    0.087053   -3.402697
   3.C         0.562639    0.095662   -1.989286
   4.C         0.096613   -1.070916   -1.319180
   5.C        -0.192946   -2.247721   -2.099504
   6.C        -0.023017   -2.245258   -3.469374
   7.C         0.852931    1.261298   -1.252806
   8.C         0.681413    1.269985    0.160578
   9.C         0.229076    0.124131    0.786505
  10.C        -0.061913   -1.035556    0.053076
  11.C         1.187170    1.232612   -4.028513
  12.C         1.476539    2.392830   -3.295285
  13.C         1.318392    2.428061   -1.922979
  14.C         1.607526    3.605003   -1.142710
  15.C         1.437645    3.602527    0.227165
  16.C         0.986881    2.476942    0.886910
  17.H        -0.246891   -3.139307   -4.034762
  18.H         0.558941   -1.125590   -5.201713
  19.H        -0.546484   -3.132644   -1.590011
  20.H        -0.414991   -1.918068    0.568840
  21.H         1.829121    3.275507   -3.811104
  22.H         1.319342    1.233462   -5.101849
  23.H         0.096334    0.123468    1.859771
  24.H         1.660946    4.496759    0.792488
  25.H         1.960389    4.490148   -1.652288
  26.H         0.856330    2.482649    1.959589
End

Unrestricted Yes
Charge 0.0 2.0

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
