#!/bin/bash

#SBATCH -t 20:00:00
#SBATCH -N 1
#SBATCH -n 16
$ADFBIN/adf <<eor

ATOMS
     1 H      -2.781162    0.171796   -0.875878   
     2 H       1.407162   -2.272914   -0.329003     
     3 N       1.105007   -1.313571   -0.188470     
     4 N       1.528715    0.894055    0.134795     
     5 O      -1.040692   -2.210484   -0.326883    
     6 H       2.190844    1.649020    0.243949     
     7 C      -0.416626   -1.153961   -0.167648    
     8 C      -0.816734    0.176218    0.025935   
     9 C       0.114643    1.211444    0.183010    
    10 C       1.974910   -0.335268   -0.047078    
    11 C      -2.292367    0.472499    0.062701    
    12 H      -0.118941    2.256839    0.336353     
    13 H      -2.790484   -0.088024    0.867569    
    14 H      -2.477173    1.542998    0.220974    
    15 S       3.710567   -0.712064   -0.106862 
END

BASIS
type TZP
core None
END

XC
HYBRID CAM-B3LYP
END

RELATIVISTIC Scalar ZORA

TDA

EXCITATIONS
Davidson
End
lowest 5
NTO
DESCRIPTORS
END

SOPERT
End

NumericalQuality Good

eor


