%chk=000009085.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000009085

0 1
 O    3.722900      0.9215000       1.101900    
 O    3.209200      -1.278400       1.345000    
 N    2.440800      -1.492300      -1.264000    
 N   -2.520600     -5.2299999E-02 -0.3258000    
 N   -4.213900      -1.632000     -0.2289000    
 N   -4.463700      0.2332000       1.057200    
 C   0.3972000      0.5164000     -0.2654000    
 C    1.702200      0.8588000     -0.9985000    
 C  -0.6908000       1.553600     -0.5656000    
 C    2.831900     -0.1623000     -0.7995000    
 C   -2.006900       1.237900      0.1364000    
 C    3.254800     -0.2722000      0.6518000    
 C   -3.663100     -0.4320000      0.1554000    
 H   5.2400000E-02 -0.4770000     -0.5723000    
 H   0.5741000      0.4794000      0.8158000    
 H    2.042500       1.849200     -0.6704000    
 H    1.494100      0.9475000      -2.073100    
 H  -0.3477000       2.546200     -0.2502000    
 H  -0.8598000       1.599000      -1.648600    
 H    3.711000      0.1513000      -1.375100    
 H   -1.843100       1.219500       1.220800    
 H   -2.720600       2.037900     -9.4899997E-02
 H    3.244500      -2.118400      -1.227200    
 H    2.162600      -1.444100      -2.243400    
 H    4.008200      0.8721000       2.039100    
 H   -3.740300      -2.237600     -0.8904000    
 H   -5.106000      -1.947200      0.1362000    
 H   -5.345100     -0.1633000       1.365100    
 H   -4.207700       1.133400       1.446700    


%chk=000009085-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000009085

0 1
O 3.646850 0.972455 1.093176
O 3.347286 -1.322092 1.242426
N 2.462243 -1.493153 -1.357554
N -2.513229 -0.067475 -0.216538
N -4.280850 -1.610567 -0.380162
N -4.533169 0.182257 1.116952
C 0.437912 0.585975 -0.253948
C 1.710144 0.898242 -1.064622
C -0.704298 1.582497 -0.541799
C 2.845630 -0.164154 -0.894124
C -1.996562 1.243343 0.230938
C 3.283899 -0.271872 0.563881
C -3.703339 -0.454213 0.175634
H 0.089436 -0.435377 -0.488496
H 0.671764 0.609583 0.832319
H 2.114866 1.891992 -0.789510
H 1.460092 0.930264 -2.144325
H -0.384622 2.613112 -0.278910
H -0.937542 1.575096 -1.625085
H 3.738397 0.238849 -1.432605
H -1.756839 1.232617 1.322139
H -2.742153 2.060590 0.071897
H 2.670897 -2.270855 -0.731092
H 2.523269 -1.675097 -2.356055
H 3.932025 0.848808 2.038685
H -3.709098 -2.058496 -1.095395
H -4.839622 -2.218596 0.218065
H -5.540969 0.044132 1.089554
H -4.173316 0.979935 1.632651


