#!/bin/bash

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

    Atoms
    1 C       0.435821000000      -1.081036000000      -4.105379000000     R=1.700
    2 C       0.733556000000       0.079687000000      -3.395483000000     R=1.700
    3 C       0.564914000000       0.091067000000      -1.988951000000     R=1.700
    4 C       0.097256000000      -1.070519000000      -1.330289000000     R=1.700
    5 C      -0.189010000000      -2.210280000000      -2.079697000000     R=1.700
    6 C      -0.020796000000      -2.212902000000      -3.452396000000     R=1.700
    7 C       0.860983000000       1.265173000000      -1.241438000000     R=1.700
    8 C       0.691560000000       1.277372000000       0.166720000000     R=1.700
    9 C       0.219039000000       0.080025000000       0.801975000000     R=1.700
    10 C      -0.064621000000      -1.029152000000       0.090441000000     R=1.700
    11 C       1.205431000000       1.267987000000      -4.042605000000     R=1.700
    12 C       1.483579000000       2.381576000000      -3.338653000000     R=1.700
    13 C       1.320437000000       2.423555000000      -1.915359000000     R=1.700
    14 C       1.593750000000       3.566564000000      -1.172979000000     R=1.700
    15 C       1.420898000000       3.571281000000       0.198551000000     R=1.700
    16 C       0.978229000000       2.450030000000       0.884441000000     R=1.700
    17 C       0.772660000000       2.530856000000       2.377564000000     R=1.700
    18 C       2.042607000000       0.431696000000       5.188650000000     R=1.700
    19 C       1.320425000000       1.392231000000       4.467415000000     R=1.700
    20 N       1.673067000000       1.679224000000       3.138938000000     R=1.608
    21 C       1.693494000000       0.099685000000       6.481459000000     R=1.700
    22 C       0.608385000000       0.702995000000       7.103087000000     R=1.700
    23 C      -0.113805000000       1.649528000000       6.402777000000     R=1.700
    24 C       0.236628000000       1.999948000000       5.106308000000     R=1.700
    25 C       3.079117000000       1.928908000000       2.866930000000     R=1.700
    26 H       0.334738000000       0.436216000000       8.113369000000     R=1.350
    27 H      -0.958894000000       2.138732000000       6.867234000000     R=1.350
    28 H      -0.337824000000       2.762826000000       4.606297000000     R=1.350
    29 H       2.868762000000      -0.080454000000       4.719405000000     R=1.350
    30 H       2.268098000000      -0.651228000000       7.006086000000     R=1.350
    31 H       3.705151000000       1.212413000000       3.384461000000     R=1.350
    32 H       3.269974000000       1.833120000000       1.801644000000     R=1.350
    33 H       3.380483000000       2.937027000000       3.182937000000     R=1.350
    34 H      -0.246633000000       2.223988000000       2.605810000000     R=1.350
    35 H       0.862939000000       3.583400000000       2.681958000000     R=1.350
    36 H       1.635793000000       4.473430000000       0.755852000000     R=1.350
    37 H       1.942790000000       4.457077000000      -1.677941000000     R=1.350
    38 H       1.837062000000       3.273288000000      -3.838793000000     R=1.350
    39 H       1.332462000000       1.251190000000      -5.116754000000     R=1.350
    40 H       0.564806000000      -1.089357000000      -5.179284000000     R=1.350
    41 H      -0.247570000000      -3.104674000000      -4.019519000000     R=1.350
    42 H      -0.546366000000      -3.097200000000      -1.574186000000     R=1.350
    43 H      -0.420311000000      -1.919512000000       0.591579000000     R=1.350
    44 H       0.108915000000       0.070212000000       1.874875000000     R=1.350
    End

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

TDA Yes

EXCITATIONS
Davidson
End
lowest 5
NTO
DESCRIPTORS
END

SOPERT
End

NumericalQuality Good

eor
