#!/bin/bash

#SBATCH -t 20:00:00
#SBATCH -N 2
#SBATCH -n 16
$ADFBIN/adf <<eor

ATOMS
   1.C         0.349218   -1.105188   -4.174517
   2.C         0.686120    0.092937   -3.445818
   3.C         0.550918    0.097992   -2.017573
   4.C         0.082771   -1.076051   -1.343397
   5.C        -0.241168   -2.246238   -2.121932
   6.C        -0.105150   -2.239807   -3.507944
   7.C         0.876360    1.268748   -1.270603
   8.C         0.742135    1.272340    0.159965
   9.C         0.286784    0.105828    0.792245
  10.C        -0.045603   -1.043563    0.052123
  11.C         1.142136    1.252497   -4.088706
  12.C         1.462266    2.408832   -3.353686
  13.C         1.336595    2.439147   -1.958852
  14.C         1.650901    3.616780   -1.186947
  15.C         1.514253    3.615694    0.193876
  16.C         1.069281    2.491972    0.898538
  17.C         0.848925    2.587256    2.383252
  18.C         2.223080    0.773042    5.397039
  19.C         1.325848    1.419998    4.511837
  20.N         1.700327    1.706677    3.200644
  21.C         1.827190    0.404796    6.681112
  22.C         0.542506    0.687247    7.155462
  23.C        -0.335924    1.371239    6.313049
  24.C         0.042437    1.744769    5.023883
  25.C         3.107614    1.652163    2.841422
  26.H         0.244146    0.408361    8.167035
  27.H        -1.332856    1.643596    6.667156
  28.H        -0.667850    2.315636    4.429248
  29.H         3.239307    0.542715    5.081579
  30.H         2.547711   -0.104713    7.325029
  31.H         3.551416    0.714072    3.200822
  32.H         3.203570    1.666565    1.750759
  33.H         3.687347    2.498155    3.259455
  34.H        -0.195751    2.295145    2.575228
  35.H         0.954922    3.643856    2.698886
  36.H         1.748620    4.524919    0.754743
  37.H         1.991344    4.513599   -1.708252
  38.H         1.813767    3.302622   -3.874490
  39.H         1.246362    1.253584   -5.176192
  40.H         0.458531   -1.105172   -5.260888
  41.H        -0.355325   -3.136904   -4.078643
  42.H        -0.595883   -3.138861   -1.602822
  43.H        -0.402963   -1.933276    0.575587
  44.H         0.220170    0.074465    1.880068
END

BASIS
type TZP
core None

END

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

RELATIVISTIC Scalar ZORA

TDA

EXCITATIONS
Davidson
End
lowest 5
NTO
DESCRIPTORS
END

SOPERT
End

NumericalQuality Good

eor
