#! /bin/sh

#SBATCH -t 120:00:00
#SBATCH -N 2
#SBATCH -n 16

$ADFBIN/ams <<eor

Task GeometryOptimization
System
    Atoms
C       0.41669300      -1.09332000      -4.13272000
C       0.72105800       0.09232300      -3.40769600
C       0.56878100       0.09707500      -1.99203300
C       0.11380300      -1.07823100      -1.32905800
C      -0.17828400      -2.23523700      -2.10278600
C      -0.02399600      -2.22696900      -3.47703400
C       0.86488200       1.26077300      -1.24812800
C       0.71208000       1.26450500       0.17163200
C       0.26855500       0.08992900       0.79667600
C      -0.02545600      -1.05095200       0.06334200
C       1.16787300       1.25990100      -4.04391900
C       1.45426200       2.40182100      -3.31793400
C       1.30976900       2.43139000      -1.92364400
C       1.58771100       3.59763000      -1.16040100
C       1.42630700       3.59452400       0.20956300
C       1.00173500       2.46958000       0.90118000
C       0.79235900       2.54250600       2.38267300
C       2.03713100       0.44252600       5.21498500
C       1.31717300       1.39361700       4.47643800
N       1.67461400       1.66696600       3.14903800
C       1.67850300       0.12334000       6.50920100
C       0.58696700       0.73052300       7.11707300
C      -0.13233200       1.66851700       6.40034700
C       0.22641400       2.00579200       5.10243900
C       3.08586400       1.87539200       2.86483000
H       0.30659400       0.47410100       8.12840100
H      -0.98219700       2.16095600       6.85293400
H      -0.34749800       2.76100900       4.59020300
H       2.87009300      -0.07162000       4.76035100
H       2.25230900      -0.61967400       7.04616400
H       3.69619700       1.13837500       3.37205800
H       3.26018800       1.77792400       1.79639100
H       3.41964600       2.87316500       3.17869900
H      -0.23402700       2.24061500       2.60208000
H       0.89679300       3.58902700       2.69870700
H       1.63707500       4.49754600       0.76720000
H       1.92447000       4.49005700      -1.66936900
H       1.79414200       3.29272700      -3.82814500
H       1.28599000       1.26086600      -5.11879500
H       0.53572900      -1.09286200      -5.20727000
H      -0.25130300      -3.11825100      -4.04501900
H      -0.52453900      -3.12595200      -1.59692800
H      -0.36477200      -1.94111300       0.57505400
H       0.17061600       0.06518000       1.87027600

  END
End

Properties
    NormalModes Yes
End

Engine DFTB
    ResourcesDir DFTB.org/mio-1-1
    Properties
        Excitations
            SingleOrbTrans
                PrintLowest 5
            End
            TDDFTB
                Calc Singlet
                Lowest 5
            End
            TDDFTBGradients
                Excitation 1
            End
        End
    End
EndEngine

eor


