#!/bin/bash

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

    Atoms
    1 C       0.445934000000      -1.102775000000      -4.048950000000     R=1.700
    2 C       0.744800000000       0.078445000000      -3.364586000000     R=1.700
    3 C       0.575721000000       0.138259000000      -1.939427000000     R=1.700
    4 C       0.094060000000      -1.034690000000      -1.268929000000     R=1.700
    5 C      -0.189580000000      -2.188653000000      -2.004427000000     R=1.700
    6 C      -0.020030000000      -2.244040000000      -3.390634000000     R=1.700
    7 C       0.864111000000       1.292767000000      -1.234590000000     R=1.700
    8 C       0.693910000000       1.353375000000       0.193688000000     R=1.700
    9 C       0.211269000000       0.179060000000       0.837246000000     R=1.700
    10 C      -0.075137000000      -0.958875000000       0.135995000000     R=1.700
    11 C       1.215969000000       1.244837000000      -4.022584000000     R=1.700
    12 C       1.497866000000       2.387332000000      -3.330688000000     R=1.700
    13 C       1.335079000000       2.462486000000      -1.921002000000     R=1.700
    14 C       1.609785000000       3.619754000000      -1.194161000000     R=1.700
    15 C       1.446334000000       3.677653000000       0.192953000000     R=1.700
    16 C       0.992798000000       2.543548000000       0.885531000000     R=1.700
    17 C       0.797998000000       2.646117000000       2.376862000000     R=1.700
    18 C       2.162826000000       0.648997000000       5.238249000000     R=1.700
    19 C       1.299299000000       1.424605000000       4.447450000000     R=1.700
    20 N       1.649974000000       1.755302000000       3.147153000000     R=1.608
    21 C       1.811053000000       0.273047000000       6.520953000000     R=1.700
    22 C       0.599794000000       0.656333000000       7.073696000000     R=1.700
    23 C      -0.252210000000       1.437334000000       6.312282000000     R=1.700
    24 C       0.085303000000       1.825014000000       5.026969000000     R=1.700
    25 C       3.046736000000       1.671022000000       2.768822000000     R=1.700
    26 H       0.331155000000       0.360908000000       8.077061000000     R=1.350
    27 H      -1.196987000000       1.765681000000       6.723366000000     R=1.350
    28 H      -0.602223000000       2.456150000000       4.488760000000     R=1.350
    29 H       3.113309000000       0.326528000000       4.846108000000     R=1.350
    30 H       2.500731000000      -0.330121000000       7.095375000000     R=1.350
    31 H       3.383866000000       0.635359000000       2.721295000000     R=1.350
    32 H       3.177390000000       2.101643000000       1.782015000000     R=1.350
    33 H       3.691336000000       2.210112000000       3.469658000000     R=1.350
    34 H      -0.238374000000       2.389285000000       2.589400000000     R=1.350
    35 H       0.930673000000       3.691988000000       2.678279000000     R=1.350
    36 H       1.668151000000       4.584492000000       0.732385000000     R=1.350
    37 H       1.963311000000       4.493181000000      -1.727516000000     R=1.350
    38 H       1.853172000000       3.262134000000      -3.859354000000     R=1.350
    39 H       1.349846000000       1.219512000000      -5.096141000000     R=1.350
    40 H       0.583253000000      -1.122069000000      -5.122789000000     R=1.350
    41 H      -0.244330000000      -3.144337000000      -3.938568000000     R=1.350
    42 H      -0.551577000000      -3.059847000000      -1.473081000000     R=1.350
    43 H      -0.439632000000      -1.830344000000       0.664196000000     R=1.350
    44 H       0.081242000000       0.179483000000       1.908734000000     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
