#!/bin/bash

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

ATOMS
     1 C       0.417111   -1.098929   -4.127402      1       2       3
     2 C       0.728364    0.077446   -3.421385      4       5       6
     3 C       0.558290    0.101993   -2.000158      7       8       9
     4 C       0.074242   -1.062608   -1.325908     10      11      12
     5 C      -0.224482   -2.216000   -2.075495     13      14      15
     6 C      -0.054035   -2.230498   -3.459753     16      17      18
     7 C       0.867779    1.281782   -1.259733     19      20      21
     8 C       0.698689    1.305594    0.163327     22      23      24
     9 C       0.210282    0.118730    0.809151     25      26      27
    10 C      -0.089305   -1.008740    0.096300     28      29      30
    11 C       1.211624    1.257547   -4.078954     31      32      33
    12 C       1.504890    2.389664   -3.373807     34      35      36
    13 C       1.343709    2.443064   -1.949033     37      38      39
    14 C       1.634198    3.598777   -1.205481     40      41      42
    15 C       1.466674    3.612802    0.177896     43      44      45
    16 C       1.008522    2.491094    0.879259     46      47      48
    17 C       0.801709    2.588802    2.375429     49      50      51
    18 C       2.217048    0.718376    5.330972     52      53      54
    19 C       1.312603    1.408163    4.484532     55      56      57
    20 N       1.664642    1.704974    3.165988     58      59      60
    21 C       1.857715    0.358779    6.628761     61      62      63
    22 C       0.599325    0.677591    7.146182     64      65      66
    23 C      -0.292123    1.380785    6.332938     67      68      69
    24 C       0.051403    1.751259    5.032423     70      71      72
    25 C       3.074189    1.654064    2.801997     73      74      75
    26 H       0.325037    0.396001    8.163906     76      77      78
    27 H      -1.275630    1.662834    6.715983     79      80      81
    28 H      -0.673335    2.322158    4.454279     82      83      84
    29 H       3.209324    0.451140    4.971259     85      86      87
    30 H       2.582261   -0.178590    7.245139     88      89      90
    31 H       3.461531    0.626886    2.869947     91      92      93
    32 H       3.184402    1.977762    1.761901     94      95      96
    33 H       3.697167    2.304336    3.444311     97      98      99
    34 H      -0.240632    2.312971    2.590371    100     101     102
    35 H       0.917876    3.647663    2.683178    103     104     105
    36 H       1.697073    4.523623    0.736818    106     107     108
    37 H       1.995190    4.490813   -1.722879    109     110     111
    38 H       1.869902    3.282209   -3.888024    112     113     114
    39 H       1.339751    1.233263   -5.163998    115     116     117
    40 H       0.547866   -1.116376   -5.212110    118     119     120
    41 H      -0.290753   -3.133851   -4.025670    121     122     123
    42 H      -0.594044   -3.104277   -1.557536    124     125     126
    43 H      -0.459760   -1.898710    0.611234    127     128     129
    44 H       0.095691    0.117585    1.893452    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
