#!/bin/bash

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

   Atoms
    1 C       0.433211000000      -1.041024000000      -4.161626000000     R=1.700
    2 C       0.734182000000       0.131273000000      -3.426958000000     R=1.700
    3 C       0.571433000000       0.125313000000      -2.010341000000     R=1.700
    4 C       0.106964000000      -1.057822000000      -1.361506000000     R=1.700
    5 C      -0.180579000000      -2.202456000000      -2.146332000000     R=1.700
    6 C      -0.015749000000      -2.182143000000      -3.519758000000     R=1.700
    7 C       0.865754000000       1.277778000000      -1.256036000000     R=1.700
    8 C       0.701067000000       1.270275000000       0.164081000000     R=1.700
    9 C       0.245815000000       0.089428000000       0.777052000000     R=1.700
    10 C      -0.042905000000      -1.042410000000       0.033749000000     R=1.700
    11 C       1.191179000000       1.307790000000      -4.049650000000     R=1.700
    12 C       1.476261000000       2.437858000000      -3.312846000000     R=1.700
    13 C       1.322473000000       2.456144000000      -1.915551000000     R=1.700
    14 C       1.602074000000       3.609175000000      -1.141371000000     R=1.700
    15 C       1.434648000000       3.592546000000       0.227930000000     R=1.700
    16 C       0.996319000000       2.459475000000       0.904611000000     R=1.700
    17 C       0.769159000000       2.519067000000       2.382709000000     R=1.700
    18 C       2.184003000000       0.729290000000       5.354674000000     R=1.700
    19 C       1.300028000000       1.417793000000       4.507062000000     R=1.700
    20 N       1.622333000000       1.630157000000       3.173373000000     R=1.608
    21 C       1.852997000000       0.467962000000       6.670927000000     R=1.700
    22 C       0.644043000000       0.886187000000       7.203277000000     R=1.700
    23 C      -0.226856000000       1.585313000000       6.385633000000     R=1.700
    24 C       0.089628000000       1.857673000000       5.065978000000     R=1.700
    25 C       3.011628000000       1.510966000000       2.780656000000     R=1.700
    26 H       0.392163000000       0.680788000000       8.233198000000     R=1.350
    27 H      -1.170334000000       1.939512000000       6.777923000000     R=1.350
    28 H      -0.613802000000       2.426456000000       4.481333000000     R=1.350
    29 H       3.135746000000       0.386811000000       4.983714000000     R=1.350
    30 H       2.558227000000      -0.070954000000       7.288889000000     R=1.350
    31 H       3.360788000000       0.485250000000       2.890868000000     R=1.350
    32 H       3.107993000000       1.778300000000       1.733788000000     R=1.350
    33 H       3.667867000000       2.162580000000       3.367780000000     R=1.350
    34 H      -0.264707000000       2.223380000000       2.572270000000     R=1.350
    35 H       0.868629000000       3.559712000000       2.715085000000     R=1.350
    36 H       1.648021000000       4.486805000000       0.798090000000     R=1.350
    37 H       1.947610000000       4.504844000000      -1.638610000000     R=1.350
    38 H       1.823387000000       3.332659000000      -3.811235000000     R=1.350
    39 H       1.316256000000       1.317575000000      -5.123688000000     R=1.350
    40 H       0.559255000000      -1.031402000000      -5.235535000000     R=1.350
    41 H      -0.240849000000      -3.067170000000      -4.097839000000     R=1.350
    42 H      -0.532853000000      -3.097653000000      -1.652425000000     R=1.350
    43 H      -0.388731000000      -1.936308000000       0.534120000000     R=1.350
    44 H       0.134200000000       0.059200000000       1.849592000000     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
