#!/bin/bash

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

   Atoms
    1 C       0.609730000000      -1.138992000000      -3.995257000000     R=1.700
    2 C       0.850906000000       0.063571000000      -3.302607000000     R=1.700
    3 C       0.597546000000       0.122327000000      -1.903667000000     R=1.700
    4 C       0.104242000000      -1.033682000000      -1.225224000000     R=1.700
    5 C      -0.120590000000      -2.211009000000      -1.965209000000     R=1.700
    6 C       0.131921000000      -2.247511000000      -3.324034000000     R=1.700
    7 C       0.837094000000       1.330635000000      -1.185058000000     R=1.700
    8 C       0.583493000000       1.384281000000       0.222023000000     R=1.700
    9 C       0.099880000000       0.224563000000       0.853527000000     R=1.700
    10 C      -0.135579000000      -0.944126000000       0.160341000000     R=1.700
    11 C       1.338972000000       1.225347000000      -3.948757000000     R=1.700
    12 C       1.566729000000       2.379201000000      -3.257090000000     R=1.700
    13 C       1.329337000000       2.472597000000      -1.870786000000     R=1.700
    14 C       1.565517000000       3.673364000000      -1.144068000000     R=1.700
    15 C       1.329549000000       3.718463000000       0.202468000000     R=1.700
    16 C       0.850324000000       2.611691000000       0.908924000000     R=1.700
    17 C       0.629695000000       2.701888000000       2.363448000000     R=1.700
    18 C       2.160911000000       0.557813000000       5.109410000000     R=1.700
    19 C       1.332759000000       1.499784000000       4.438324000000     R=1.700
    20 N       1.618744000000       1.903633000000       3.189075000000     R=1.608
    21 C       1.860306000000       0.152821000000       6.382454000000     R=1.700
    22 C       0.744503000000       0.663458000000       7.042514000000     R=1.700
    23 C      -0.076926000000       1.591479000000       6.405286000000     R=1.700
    24 C       0.195383000000       2.004418000000       5.128439000000     R=1.700
    25 C       2.883935000000       1.557578000000       2.566495000000     R=1.700
    26 H       0.515742000000       0.339388000000       8.046558000000     R=1.350
    27 H      -0.935828000000       1.992378000000       6.921747000000     R=1.350
    28 H      -0.439746000000       2.733958000000       4.658547000000     R=1.350
    29 H       3.011225000000       0.135178000000       4.602723000000     R=1.350
    30 H       2.489878000000      -0.574331000000       6.872503000000     R=1.350
    31 H       2.851715000000       0.528310000000       2.208472000000     R=1.350
    32 H       3.017537000000       2.200058000000       1.706209000000     R=1.350
    33 H       3.696579000000       1.684587000000       3.274163000000     R=1.350
    34 H      -0.348785000000       2.323406000000       2.652998000000     R=1.350
    35 H       0.718113000000       3.732455000000       2.711119000000     R=1.350
    36 H       1.514643000000       4.641339000000       0.740935000000     R=1.350
    37 H       1.924665000000       4.546918000000      -1.668562000000     R=1.350
    38 H       1.939036000000       3.254139000000      -3.774406000000     R=1.350
    39 H       1.529467000000       1.182783000000      -5.012829000000     R=1.350
    40 H       0.802052000000      -1.181245000000      -5.058032000000     R=1.350
    41 H      -0.049124000000      -3.162921000000      -3.872263000000     R=1.350
    42 H      -0.496108000000      -3.087452000000      -1.455659000000     R=1.350
    43 H      -0.516235000000      -1.812872000000       0.679432000000     R=1.350
    44 H      -0.115229000000       0.236322000000       1.912428000000     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
