#!/bin/bash

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

Atoms
   1.C         0.792902    1.823823    2.217256
   2.C         1.763738    0.103855    5.034943
   3.C         1.455675    1.340754    4.486361
   4.N         1.890235    1.631595    3.150312
   5.C         1.359803   -0.215760    6.322437
   6.C         0.643997    0.701318    7.074955
   7.C         0.333960    1.940014    6.533933
   8.C         0.737274    2.258300    5.247427
   9.C         2.859169    2.712180    3.082980
  10.H         0.328929    0.453706    8.078707
  11.H        -0.224848    2.659998    7.115682
  12.H         0.491682    3.226335    4.832167
  13.H         2.323001   -0.599005    4.434213
  14.H         1.606029   -1.183085    6.737731
  15.H         3.683287    2.510188    3.762944
  16.H         3.257024    2.772754    2.070763
  17.H         2.434479    3.693876    3.338632
  18.H         0.108690    0.980937    2.276404
  19.H         0.221179    2.744977    2.401901
  20.H         1.189618    1.873324    1.204008
End

Unrestricted Yes
Charge 1.0 1.0

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

NumericalQuality Good

eor
