%chk=000124175.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000124175

0 1
 I   -4.065500       3.091700     -0.5357000    
 O   -2.121400      0.4539000     -0.9298000    
 O   -1.164400      -2.379900       1.052800    
 O   -3.462200      -2.252300     -0.4135000    
 O    4.624600       1.414900      0.4566000    
 N    1.672400       1.844100      0.4516000    
 N    1.925300      -1.465400     -0.6003000    
 N    4.215100     -0.7420000     -0.2575000    
 C   -1.103400     -0.4363000     -0.4167000    
 C   -1.716700      -1.100800      0.8122000    
 C   -3.189400      -1.153500      0.4558000    
 C   -3.387800      0.1515000     -0.3039000    
 C   0.1912000      0.2718000     -0.1263000    
 C   -3.762600       1.316500      0.6021000    
 C    1.491100     -0.2474000     -0.2299000    
 C   0.3303000       1.576800      0.3002000    
 C    2.395200      0.7266000      0.1269000    
 C    3.829700      0.5389000      0.1356000    
 C    3.298400      -1.609000     -0.5801000    
 H  -0.9214000      -1.182700      -1.201200    
 H   -1.577000     -0.4846000       1.709000    
 H   -3.842200      -1.259700       1.327200    
 H   -4.127600      3.0400001E-02  -1.104000    
 H   -2.970800       1.510800       1.334000    
 H   -4.676900       1.081500       1.157900    
 H  -0.4005000       2.344400      0.5135000    
 H  -0.2140000      -2.263800       1.221200    
 H   -3.209400      -3.063200      5.9900001E-02
 H    2.059600       2.727200      0.7549000    
 H    1.320200      -2.232600     -0.8744000    
 H    3.606300      -2.620700     -0.8900000    


%chk=000124175-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000124175

0 1
I -4.776394 3.067721 0.020447
O -2.106126 0.953675 -0.278789
O -0.898887 -2.438594 0.382623
O -3.404624 -2.150958 -0.606384
O 4.918665 1.265545 0.227505
N 1.970562 2.026094 0.035610
N 1.874892 -1.526905 -0.200917
N 4.227974 -0.999963 0.007374
C -1.073398 -0.089695 -0.408059
C -1.528963 -1.125618 0.649151
C -3.073126 -1.175941 0.428382
C -3.413073 0.254784 -0.109480
C 0.279710 0.519799 -0.199324
C -4.287777 1.068594 0.833313
C 1.533023 -0.174852 -0.141445
C 0.593213 1.886060 -0.088022
C 2.571460 0.770601 0.003860
C 3.983288 0.419154 0.091032
C 3.225148 -1.854126 -0.122562
H -1.144308 -0.573836 -1.409302
H -1.275776 -0.764452 1.662528
H -3.618306 -1.419347 1.362188
H -3.894119 0.127445 -1.097463
H -3.794529 1.268145 1.796743
H -5.265918 0.586359 0.981222
H -0.087458 2.733037 -0.100987
H -0.902611 -2.983368 1.209637
H -2.662927 -2.816951 -0.632867
H 2.497500 2.893727 0.130703
H 1.129496 -2.232365 -0.240922
H 3.449586 -2.926670 -0.177697


