#!/bin/bash

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

ATOMS
     1 H      -2.392780    1.222210   -0.914698 
     2 H       1.396651   -2.330974   -0.161852    
     3 N       1.060464   -1.386477    0.006527   
     4 N       1.507001    0.880101    0.132464     
     5 O      -1.066635   -2.193976   -0.322489    
     6 H       2.225186    1.602043    0.151432    
     7 C      -0.358003   -1.203544   -0.113508    
     8 C      -0.799996    0.149991    0.028548    
     9 C       0.191584    1.209022    0.281230    
    10 C       2.000435   -0.379955   -0.021278    
    11 C      -2.228930    0.498774   -0.094615    
    12 H      -0.058819    2.256762    0.401277    
    13 H      -2.828697   -0.399016   -0.278474    
    14 H      -2.591354    1.000260    0.821986    
    15 S       3.651926   -0.648893   -0.188243          
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
