#!/bin/bash

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

ATOMS
C       0.43491065      -1.09528404      -4.12877779
C       0.72987042       0.06492762      -3.40090164
C       0.55830230       0.06719534      -2.00542393
C       0.09462587      -1.08069949      -1.33916322
C      -0.19818714      -2.23457220      -2.07891102
C      -0.02749740      -2.23920122      -3.46823751
C       0.86523275       1.28660103      -1.23382010
C       0.69441865       1.28926950       0.16193683
C       0.21096522       0.06040509       0.84011327
C      -0.07423839      -1.05080116       0.13502372
C       1.21879219       1.29092909      -4.07900971
C       1.49615975       2.40440312      -3.37545897
C       1.32179800       2.43628596      -1.90221490
C       1.60252262       3.59456970      -1.16606305
C       1.42923376       3.60140506       0.22275818
C       0.97914596       2.45438212       0.88760278
H      -0.25406358      -3.13238315      -4.03543380
H       0.56133295      -1.11464014      -5.20402590
H      -0.55661871      -3.12816283      -1.58324615
H      -0.43074769      -1.93410123       0.65670828
H       1.85136328       3.28785643      -3.89742003
H       1.35486991       1.29602408      -5.15632471
H       0.08364744       0.05148037       1.91835404
H       1.64424442       4.49976812       0.78536790
H       1.95268070       4.49014584      -1.66490753
H       0.85134787       2.47741337       1.96327512
END


Unrestricted Yes
Charge 0.0 2.0


NUMERICALQUALITY Good

SYMMETRY NOSYM

BASIS
Type TZ2P
Core None
END

NoPrint LogFile

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

RELATIVISTIC Scalar ZORA

GEOMETRY
END

end input
eor


