#!/bin/bash

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

ATOMS
     1 C       0.481581   -0.782708   -4.549600      1       2       3
     2 C       0.774415    0.282052   -3.647620      4       5       6
     3 C       0.575447    0.079046   -2.237274      7       8       9
     4 C       0.090620   -1.190420   -1.765704     10      11      12
     5 C      -0.187337   -2.223499   -2.711443     13      14      15
     6 C       0.008797   -2.005717   -4.073683     16      17      18
     7 C       0.850252    1.138791   -1.309740     19      20      21
     8 C       0.632476    0.940934    0.106162     22      23      24
     9 C       0.178640   -0.335034    0.531653     25      26      27
    10 C      -0.090010   -1.359223   -0.373113     28      29      30
    11 C       1.252940    1.541569   -4.091352     31      32      33
    12 C       1.522238    2.566520   -3.199545     34      35      36
    13 C       1.328197    2.403801   -1.804046     37      38      39
    14 C       1.569677    3.462187   -0.874954     40      41      42
    15 C       1.327020    3.272707    0.476778     43      44      45
    16 C       0.873508    2.049387    0.998566     46      47      48
    17 C       0.502227    1.990971    2.446361     49      50      51
    18 C       2.369480    1.095129    5.680578     52      53      54
    19 C       1.338634    1.458419    4.751039     55      56      57
    20 N       1.536391    1.406182    3.418570     58      59      60
    21 C       2.161424    1.215725    7.038166     61      62      63
    22 C       0.931163    1.675410    7.536144     64      65      66
    23 C      -0.097266    2.023842    6.643742     67      68      69
    24 C       0.088176    1.923360    5.282538     70      71      72
    25 C       2.731677    0.822415    2.823325     73      74      75
    26 H       0.772886    1.758829    8.610723     76      77      78
    27 H      -1.057054    2.369478    7.027342     79      80      81
    28 H      -0.726236    2.173997    4.610807     82      83      84
    29 H       3.337244    0.762645    5.316161     85      86      87
    30 H       2.964174    0.955104    7.727448     88      89      90
    31 H       3.186140    0.085165    3.487109     91      92      93
    32 H       2.442788    0.350712    1.880189     94      95      96
    33 H       3.446534    1.622205    2.586812     97      98      99
    34 H      -0.397707    1.381345    2.606179    100     101     102
    35 H       0.305461    2.999897    2.830248    103     104     105
    36 H       1.476109    4.115932    1.161060    106     107     108
    37 H       1.915331    4.428630   -1.247382    109     110     111
    38 H       1.884296    3.530481   -3.567536    112     113     114
    39 H       1.403714    1.694020   -5.164091    115     116     117
    40 H       0.630232   -0.624493   -5.620615    118     119     120
    41 H      -0.212782   -2.807672   -4.784213    121     122     123
    42 H      -0.559571   -3.185910   -2.352355    124     125     126
    43 H      -0.453419   -2.323761   -0.007618    127     128     129
    44 H       0.008043   -0.529590    1.594339    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
