%chk=000029964.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000029964

0 1
 O    1.599000       2.155000     -0.3184000    
 O    1.598900      -2.155100      0.3185000    
 O    3.457100       2.780600      0.9035000    
 O    3.457000      -2.780500     -0.9036000    
 N   -1.218100       1.207900      0.6861000    
 N   -1.218100      -1.207900     -0.6860000    
 C  -7.2099999E-02  0.5954000      0.3382000    
 C  -7.2099999E-02 -0.5954000     -0.3382000    
 C   -2.374700      0.6117000      0.3475000    
 C   -2.374700     -0.6116000     -0.3474000    
 C    1.195700       1.276000      0.7250000    
 C    1.195500      -1.276000     -0.7250000    
 C   -3.591800       1.200700      0.6821000    
 C   -3.591700      -1.200700     -0.6822000    
 C   -4.804200      0.6029000      0.3425000    
 C   -4.804100     -0.6029000     -0.3426000    
 C    2.755100       2.849800     -9.6299998E-02
 C    2.755100      -2.849900      9.6299998E-02
 C    3.054200       3.729300      -1.272400    
 C    3.054200      -3.729400       1.272300    
 H    1.011700       1.869800       1.630200    
 H    1.993000      0.5656000      0.9707000    
 H    1.011600      -1.869700      -1.630200    
 H    1.992800     -0.5657000     -0.9707000    
 H   -3.606500       2.146900       1.219600    
 H   -3.606400      -2.146800      -1.219700    
 H   -5.741600       1.079100      0.6131000    
 H   -5.741500      -1.079000     -0.6133000    
 H    2.242800       4.447800      -1.413400    
 H    3.187100       3.117400      -2.168000    
 H    3.980100       4.281200      -1.086600    
 H    2.242600      -4.447500       1.413700    
 H    3.187600      -3.117300       2.167800    
 H    3.979900      -4.281600       1.086400    


%chk=000029964-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000029964

0 1
O 1.701042 1.625098 -0.057755
O 1.700862 -1.625560 0.057426
O 3.591573 1.273017 1.264353
O 3.591581 -1.271262 -1.263715
N -1.567513 1.065084 0.957647
N -1.567576 -1.065110 -0.957685
C -0.417537 0.541567 0.486418
C -0.417574 -0.541648 -0.486458
C -2.762311 0.534996 0.486762
C -2.762343 -0.535021 -0.486715
C 0.847427 1.129410 1.064437
C 0.847396 -1.129301 -1.064661
C -4.002761 1.057511 0.962174
C -4.002829 -1.057508 -0.962067
C -5.205482 0.529960 0.482202
C -5.205515 -0.529943 -0.482024
C 3.086972 1.645277 0.179677
C 3.086807 -1.645379 -0.179749
C 3.835179 2.118013 -1.042223
C 3.834928 -2.118431 1.042077
H 0.582280 1.984605 1.705973
H 1.426038 0.390703 1.646076
H 0.582305 -1.984202 -1.706603
H 1.426099 -0.390362 -1.645920
H -3.974956 1.867643 1.697235
H -3.975076 -1.867631 -1.697140
H -6.160110 0.927429 0.843166
H -6.160169 -0.927396 -0.842937
H 3.203823 2.757897 -1.676495
H 4.136869 1.227700 -1.625360
H 4.747070 2.653296 -0.735801
H 3.203408 -2.758244 1.676255
H 4.136767 -1.228211 1.625272
H 4.746729 -2.653896 0.735660


