%chk=000099911.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000099911

0 1
 O   -5.277600      -1.442700      0.4673000    
 O   -3.523500       2.524400      -1.065700    
 O    5.275700      -1.447900     -0.4671000    
 O    3.529800       2.523100       1.065200    
 N   -1.914100     -0.4221000      5.3700000E-02
 N    1.914300     -0.4204000     -5.3199999E-02
 N   -4.400100      0.5280000     -0.3317000    
 N    4.402300      0.5248000      0.3317000    
 C  -0.5597000     -0.8511000      0.4925000    
 C   0.5590000     -0.8467000     -0.4915000    
 C  -1.2000000E-02  -2.145200     -2.0999999E-03
 C   -2.954800      -1.035100      0.8800000    
 C   -2.039400       1.035700      8.0200002E-02
 C    2.953700      -1.035700     -0.8794000    
 C    2.042600       1.037200     -7.9999998E-02
 C   -4.311200     -0.6966000      0.3111000    
 C   -3.368400       1.435700     -0.5128000    
 C    4.310800     -0.6999000     -0.3108000    
 C    3.372600       1.434600      0.5127000    
 H  -0.3211000     -0.5908000       1.520900    
 H   0.3199000     -0.5788000      -1.518100    
 H   0.5707000      -2.742200      0.6896000    
 H  -0.5975000      -2.729900     -0.7019000    
 H   -2.911400     -0.6993000       1.922800    
 H   -2.855300      -2.126800      0.8611000    
 H   -1.256900       1.491800     -0.5372000    
 H   -1.963600       1.442800       1.095500    
 H    2.910700     -0.7001000      -1.922400    
 H    2.851600      -2.127000     -0.8601000    
 H    1.260900       1.494700      0.5376000    
 H    1.967400       1.444200      -1.095300    
 H   -5.308800      0.7849000     -0.7068000    
 H    5.311600      0.7799000      0.7066000    


%chk=000099911-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000099911

0 1
O -5.328224 -1.539219 0.410915
O -3.690350 2.558276 -1.035806
O 5.325134 -1.545331 -0.413452
O 3.692495 2.552119 1.039280
N -1.887784 -0.376908 0.144985
N 1.886160 -0.379053 -0.145722
N -4.451274 0.468947 -0.361168
N 4.450727 0.462783 0.361643
C -0.548707 -0.773461 0.537635
C 0.546575 -0.773280 -0.539016
C -0.001925 -2.100940 -0.001771
C -2.958828 -1.084729 0.871720
C -2.092252 1.083025 0.104415
C 2.956297 -1.087178 -0.873495
C 2.092480 1.080553 -0.103031
C -4.337801 -0.774962 0.295130
C -3.449075 1.452069 -0.490969
C 4.335667 -0.780019 -0.296465
C 3.449767 1.446977 0.492931
H -0.205933 -0.496187 1.551853
H 0.204245 -0.493897 -1.552805
H 0.643560 -2.680239 0.664137
H -0.648067 -2.678377 -0.668645
H -2.990077 -0.833965 1.963868
H -2.802552 -2.172766 0.796558
H -1.319595 1.549938 -0.528162
H -2.027414 1.566977 1.113852
H 2.987866 -0.834862 -1.965279
H 2.798621 -2.175120 -0.799928
H 1.320413 1.547568 0.530195
H 2.028297 1.566047 -1.111775
H -5.373342 0.698303 -0.753806
H 5.373095 0.690413 0.754577


