#!/bin/bash

#SBATCH -t 20:00:00
#SBATCH -N 2
#SBATCH -n 16
$ADFBIN/adf <<eor

ATOMS
     1 C       0.420986   -1.276338   -3.885829      1       2       3
     2 C       0.738752   -0.021223   -3.254152      4       5       6
     3 C       0.577733    0.101721   -1.833440      7       8       9
     4 C       0.103246   -1.016273   -1.072968     10      11      12
     5 C      -0.200015   -2.246690   -1.755507     13      14      15
     6 C      -0.038172   -2.354388   -3.135090     16      17      18
     7 C       0.884819    1.332676   -1.180375     19      20      21
     8 C       0.724004    1.454417    0.242680     22      23      24
     9 C       0.259169    0.340161    0.958954     25      26      27
    10 C      -0.048552   -0.869740    0.314013     28      29      30
    11 C       1.200413    1.085155   -3.983874     31      32      33
    12 C       1.498468    2.299006   -3.343220     34      35      36
    13 C       1.348408    2.444535   -1.957338     37      38      39
    14 C       1.638324    3.686203   -1.283311     40      41      42
    15 C       1.480102    3.797694    0.090179     43      44      45
    16 C       1.033710    2.731294    0.879807     46      47      48
    17 C       0.850953    2.926240    2.358756     49      50      51
    18 C       2.088971    0.439116    4.929142     52      53      54
    19 C       1.314664    1.467640    4.332950     55      56      57
    20 N       1.753669    2.105538    3.183104     58      59      60
    21 C       1.664149   -0.190867    6.097464     61      62      63
    22 C       0.460532    0.164173    6.712513     64      65      66
    23 C      -0.312734    1.176741    6.134242     67      68      69
    24 C       0.098228    1.823225    4.971294     70      71      72
    25 C       3.107069    1.879317    2.704592     73      74      75
    26 H       0.131422   -0.335569    7.624681     76      77      78
    27 H      -1.251779    1.480809    6.602037     79      80      81
    28 H      -0.518530    2.630103    4.576722     82      83      84
    29 H       3.022574    0.121316    4.467059     85      86      87
    30 H       2.284938   -0.980705    6.526384     88      89      90
    31 H       3.239981    0.877895    2.256610     91      92      93
    32 H       3.336851    2.620132    1.930468     94      95      96
    33 H       3.826663    1.992964    3.529126     97      98      99
    34 H      -0.180254    2.654116    2.629712    100     101     102
    35 H       0.974975    3.997745    2.601710    103     104     105
    36 H       1.702721    4.751170    0.577916    106     107     108
    37 H       1.977659    4.539743   -1.873451    109     110     111
    38 H       1.851855    3.149843   -3.930574    112     113     114
    39 H       1.324533    0.996200   -5.065577    115     116     117
    40 H       0.548197   -1.365754   -4.966537    118     119     120
    41 H      -0.273777   -3.297372   -3.633532    121     122     123
    42 H      -0.560239   -3.095459   -1.170734    124     125     126
    43 H      -0.409052   -1.715986    0.903215    127     128     129
    44 H       0.137576    0.399900    2.041009    130     131     132
END

BASIS
type TZP
core None

END

XC
  HYBRID CAMY-B3LYP
  XCFUN
  RANGESEP GAMMA=0.34 ALPHA=0.19 BETA=0.46
END

RELATIVISTIC Scalar ZORA

TDA

EXCITATIONS
Davidson
End
lowest 5
NTO
DESCRIPTORS
END

SOPERT
End

NumericalQuality Good

eor
