%chk=000100185.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000100185

0 1
 O   -3.484800       1.142000      0.4879000    
 O   -1.537300       1.359300       1.652300    
 O    3.035200       2.043500     -0.1749000    
 O    4.056000     -0.4926000      0.3122000    
 N   -2.306700      -1.024100     -0.6216000    
 C   -1.544700      0.2364000     -0.4983000    
 C  -4.5000002E-02  4.2700000E-02 -0.2875000    
 C   0.4806000      -1.234300     -4.9999999E-03
 C  -0.4224000      -2.437700      5.6000002E-02
 C   -1.869200      -2.043500      0.3310000    
 C   -1.837200       1.049000      -1.774200    
 C   0.8382000       1.136400     -0.3253000    
 C   -2.152700      0.9707000      0.6707000    
 C    1.861000      -1.402000      0.1808000    
 C    2.208600      0.9616000     -0.1257000    
 C    2.720400     -0.3077000      0.1216000    
 H  -0.3523000      -2.973700     -0.8989000    
 H  -8.7099999E-02  -3.118900      0.8472000    
 H   -2.512600      -2.924900      0.2324000    
 H   -1.988700      -1.685800       1.361000    
 H   -2.194400      -1.394500      -1.566100    
 H   -1.511000       2.091500      -1.680300    
 H   -1.329400      0.6181000      -2.645900    
 H   -2.909200       1.085200      -2.006900    
 H   0.4535000       2.137000     -0.5087000    
 H    2.265400      -2.392600      0.3775000    
 H   -3.899400       1.617400       1.239000    
 H    2.506700       2.839500     -0.3570000    
 H    4.498300      0.3710000      0.2382000    


%chk=000100185-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000100185

0 1
O -3.126309 1.954028 0.301702
O -1.984091 0.730097 1.900745
O 3.068476 2.098431 -0.059645
O 4.104658 -0.376084 0.278501
N -2.361005 -1.088206 -0.491851
C -1.598131 0.190098 -0.505763
C -0.080031 0.009179 -0.277371
C 0.497102 -1.273496 -0.076291
C -0.371663 -2.525335 -0.022766
C -1.821060 -2.157514 0.371639
C -1.871999 0.890515 -1.857576
C 0.753618 1.158298 -0.266904
C -2.208681 0.966853 0.693144
C 1.899583 -1.385712 0.104663
C 2.136920 1.030890 -0.082879
C 2.723677 -0.250142 0.095860
H -0.379560 -3.030738 -1.011167
H 0.056565 -3.247025 0.699292
H -2.489433 -3.033790 0.296380
H -1.846895 -1.804654 1.418457
H -2.604547 -1.399689 -1.438761
H -1.460000 1.911486 -1.878101
H -1.396666 0.310174 -2.669252
H -2.957640 0.963425 -2.036284
H 0.311722 2.156074 -0.394008
H 2.363903 -2.363770 0.268397
H -3.553014 2.327699 1.120870
H 2.623779 2.977238 -0.115942
H 4.510521 0.530668 0.266411


