#!/bin/bash

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

Atoms
   1.C         0.431201   -1.109264   -4.129137
   2.C         0.731848    0.078206   -3.411461
   3.C         0.560189    0.088932   -1.993746
   4.C         0.093317   -1.082379   -1.323286
   5.C        -0.192444   -2.242831   -2.089742
   6.C        -0.019829   -2.233447   -3.461830
   7.C         0.854741    1.268236   -1.248416
   8.C         0.683084    1.278969    0.169300
   9.C         0.221005    0.105072    0.794113
  10.C        -0.063176   -1.032755    0.074902
  11.C         1.193925    1.252094   -4.036278
  12.C         1.478107    2.389922   -3.317068
  13.C         1.321612    2.439544   -1.918881
  14.C         1.607375    3.599998   -1.152433
  15.C         1.434762    3.590620    0.219653
  16.C         0.983732    2.466441    0.886974
  17.H        -0.243812   -3.130309   -4.028856
  18.H         0.560035   -1.121337   -5.203830
  19.H        -0.546514   -3.132621   -1.585198
  20.H        -0.417380   -1.920586    0.585725
  21.H         1.832310    3.277754   -3.827888
  22.H         1.324899    1.246113   -5.112131
  23.H         0.090029    0.111048    1.869964
  24.H         1.658747    4.487483    0.786669
  25.H         1.961446    4.489784   -1.656989
  26.H         0.854902    2.478528    1.961671
End

Unrestricted Yes
Charge 0.0 0.0

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
