#!/bin/bash

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

ATOMS
     1.H      -5.158058    0.267059   -1.669806      -
     2.H       2.645121   -4.335297   -0.628780       
     3.N       2.009708   -2.537059   -0.361511    
     4.N       2.840980    1.661788    0.261235      
     5.O      -2.024274   -4.076050   -0.598683    
     6.H       4.139391    3.059207    0.468665     
     7.C      -0.644392   -2.237757   -0.324461     
     8.C      -1.491972    0.370800    0.053126      
     9.C       0.298136    2.185716    0.330292     
    10.C       3.839195   -0.715297   -0.097975      
    11.C      -4.269752    0.874303    0.107614      
    12.H      -0.174454    4.169553    0.622104      
    13.H      -5.184067   -0.219649    1.618779     
    14.H      -4.664846    2.887673    0.401691     
    15.S       6.921509   -1.265862   -0.195323  
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
