%chk=000086550.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000086550

0 1
 O   -3.187700      -1.561500       1.028300    
 O   -4.436300     -0.7067000     -0.6460000    
 O   0.2912000      -1.126300      -1.409200    
 O    2.920400       1.090100      0.6532000    
 N  -0.9905000     -0.3092000      0.3468000    
 N    2.501900      -1.151400      0.2194000    
 N    5.560000      0.7086000     -5.0000002E-04
 C   -2.366800       1.602700     -0.3052000    
 C   -2.148300      7.9200000E-02 -0.4261000    
 C   -2.784300       2.042700       1.101400    
 C   -1.145600       2.401500     -0.7692000    
 C   -3.364200     -0.7650000     -5.4499999E-02
 C   0.1410000     -0.8838000     -0.2136000    
 C    1.183600      -1.216800      0.8339000    
 C    3.257000      4.9999999E-03  0.1843000    
 C    4.568500     -0.2093000     -0.5430000    
 H   -3.198800       1.863400     -0.9739000    
 H   -1.946000     -0.1605000      -1.477800    
 H   -1.998100       1.846100       1.837400    
 H   -2.993500       3.118000       1.119900    
 H   -3.693400       1.527600       1.426900    
 H  -0.2910000       2.268400     -9.7599998E-02
 H  -0.8413000       2.097600      -1.776200    
 H   -1.377000       3.471700     -0.8012000    
 H   -1.041700     -0.2090000       1.356500    
 H    1.139300     -0.5171000       1.674000    
 H    1.021000      -2.237300       1.191200    
 H    2.853400      -1.994600     -0.2246000    
 H   -3.999100      -2.067500       1.247000    
 H    4.414700     -1.7800000E-02  -1.609300    
 H    4.921800      -1.237900     -0.4210000    
 H    5.235500       1.669500     -0.1014000    
 H    5.674100      0.5450000      0.9989000    


%chk=000086550-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000086550

0 1
O -2.948025 -1.435480 1.484499
O -4.313119 -1.392375 -0.396184
O 0.414771 -0.145020 -1.430815
O 3.990327 -0.245124 1.941708
N -1.018723 -0.006406 0.404143
N 2.643460 -0.209165 0.055236
N 6.338850 -0.742225 0.343228
C -2.935065 1.366062 -0.571751
C -2.251418 -0.041224 -0.392734
C -3.341692 1.988664 0.783352
C -2.013032 2.311082 -1.371732
C -3.271586 -1.021723 0.180434
C 0.228133 -0.098340 -0.173661
C 1.402196 -0.140358 0.817843
C 3.872146 -0.245608 0.675064
C 5.102691 -0.245435 -0.270959
H -3.850935 1.172151 -1.165035
H -1.970874 -0.401441 -1.400957
H -2.452862 2.179310 1.413818
H -3.844431 2.958114 0.618325
H -4.038075 1.343526 1.350124
H -1.087699 2.532916 -0.809511
H -1.718538 1.870509 -2.340398
H -2.528870 3.268933 -1.566229
H -1.111774 -0.075848 1.419945
H 1.392635 0.755661 1.470364
H 1.306702 -1.015498 1.492171
H 2.528077 -0.232767 -0.965560
H -3.652896 -2.050322 1.824246
H 5.264738 0.798753 -0.604935
H 4.882166 -0.834072 -1.181584
H 6.548303 -0.247829 1.219576
H 6.314218 -1.754023 0.516772


