#!/bin/bash

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

   Atoms
    1 C       0.420088000000      -1.101742000000      -4.137989000000     R=1.700
    2 C       0.724068000000       0.094097000000      -3.410089000000     R=1.700
    3 C       0.569136000000       0.095356000000      -1.996838000000     R=1.700
    4 C       0.117552000000      -1.077469000000      -1.334610000000     R=1.700
    5 C      -0.172770000000      -2.244015000000      -2.111820000000     R=1.700
    6 C      -0.017559000000      -2.234599000000      -3.483869000000     R=1.700
    7 C       0.862048000000       1.262557000000      -1.250413000000     R=1.700
    8 C       0.707323000000       1.263070000000       0.165452000000     R=1.700
    9 C       0.268049000000       0.097385000000       0.786314000000     R=1.700
    10 C      -0.024273000000      -1.051302000000       0.048231000000     R=1.700
    11 C       1.165350000000       1.252795000000      -4.042041000000     R=1.700
    12 C       1.450835000000       2.404041000000      -3.309150000000     R=1.700
    13 C       1.305373000000       2.430681000000      -1.926291000000     R=1.700
    14 C       1.583488000000       3.604075000000      -1.153719000000     R=1.700
    15 C       1.423044000000       3.598771000000       0.214146000000     R=1.700
    16 C       0.999682000000       2.475047000000       0.903560000000     R=1.700
    17 C       0.789411000000       2.541404000000       2.388136000000     R=1.700
    18 C       2.030232000000       0.437790000000       5.214890000000     R=1.700
    19 C       1.316676000000       1.395329000000       4.480446000000     R=1.700
    20 N       1.671521000000       1.667612000000       3.151042000000     R=1.608
    21 C       1.674558000000       0.121293000000       6.510107000000     R=1.700
    22 C       0.591565000000       0.737397000000       7.122519000000     R=1.700
    23 C      -0.122041000000       1.681480000000       6.409631000000     R=1.700
    24 C       0.234403000000       2.016107000000       5.110864000000     R=1.700
    25 C       3.081759000000       1.869068000000       2.863646000000     R=1.700
    26 H       0.313202000000       0.482975000000       8.134493000000     R=1.350
    27 H      -0.965578000000       2.180929000000       6.865668000000     R=1.350
    28 H      -0.335223000000       2.776018000000       4.601526000000     R=1.350
    29 H       2.855596000000      -0.084698000000       4.756567000000     R=1.350
    30 H       2.243410000000      -0.627529000000       7.043661000000     R=1.350
    31 H       3.689144000000       1.131785000000       3.373758000000     R=1.350
    32 H       3.256626000000       1.765537000000       1.796223000000     R=1.350
    33 H       3.421803000000       2.866156000000       3.174166000000     R=1.350
    34 H      -0.236186000000       2.240395000000       2.605751000000     R=1.350
    35 H       0.891093000000       3.588356000000       2.706491000000     R=1.350
    36 H       1.633814000000       4.501263000000       0.772686000000     R=1.350
    37 H       1.918721000000       4.496337000000      -1.662562000000     R=1.350
    38 H       1.789397000000       3.294418000000      -3.820820000000     R=1.350
    39 H       1.285402000000       1.257164000000      -5.116489000000     R=1.350
    40 H       0.540006000000      -1.099164000000      -5.211849000000     R=1.350
    41 H      -0.242041000000      -3.126176000000      -4.052339000000     R=1.350
    42 H      -0.516150000000      -3.133614000000      -1.603695000000     R=1.350
    43 H      -0.363234000000      -1.940143000000       0.562101000000     R=1.350
    44 H       0.168659000000       0.069759000000       1.859565000000     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
