%chk=000126744.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000126744

0 1
 O    5.125500      -1.082900      -1.248700    
 O   -4.287900       2.015900     -0.6465000    
 O   -3.548300      -2.470600      0.2431000    
 N   -3.418100     -0.1243000     -9.7300000E-02
 N    6.812000     -3.1599998E-02 -4.5200001E-02
 N    7.819700     -0.6962000     -0.7134000    
 C    2.065300       1.006200       1.043200    
 C    3.056600      0.2480000      0.1495000    
 C   0.6181000      0.7080000      0.7422000    
 C    4.528900      0.4988000      0.4820000    
 C   -2.043400      0.1591000      0.1889000    
 C  -5.7399999E-02   1.482100     -0.1891000    
 C  -1.3400000E-02 -0.3357000       1.401700    
 C   -1.396100       1.206000     -0.4674000    
 C   -1.352100     -0.6118000       1.123300    
 C    5.495000     -0.2924000     -0.3838000    
 C   -4.357600      0.8077000     -0.4900000    
 C   -4.005700      -1.371000     -2.2500001E-02
 C   -5.623000      8.3300002E-02 -0.6781000    
 C   -5.418200      -1.198600     -0.3918000    
 H    2.241200       2.085900      0.9489000    
 H    2.269400      0.7707000       2.096100    
 H    2.875300      0.5137000     -0.9003000    
 H    2.854500     -0.8290000      0.2229000    
 H    4.718300      0.2342000       1.529300    
 H    4.755300       1.565000      0.3612000    
 H   0.4408000       2.294200     -0.7111000    
 H   0.5158000     -0.9390000       2.133800    
 H   -1.894900       1.808000      -1.220600    
 H   -1.831600      -1.416300       1.672300    
 H   -6.547900      0.5411000     -0.9860000    
 H   -6.141200      -1.996200     -0.4269000    
 H    7.070400      0.6264000      0.6834000    
 H    8.374900      -1.178100     -7.4999998E-03
 H    8.429500      1.6100001E-02  -1.112700    


%chk=000126744-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000126744

0 1
O 5.444434 -1.646526 0.195153
O -4.261521 2.066108 -0.502694
O -3.293701 -2.541323 -0.130663
N -3.359181 -0.140704 -0.203746
N 6.660358 0.206800 -0.493450
N 7.681236 -0.541169 -1.140493
C 2.124008 1.111112 1.258628
C 3.134271 0.258835 0.442892
C 0.679748 0.802646 0.895024
C 4.600547 0.586547 0.813930
C -2.001855 0.173713 0.162559
C -0.027778 1.597343 -0.041223
C 0.011565 -0.315590 1.455942
C -1.351785 1.290454 -0.416498
C -1.316554 -0.630388 1.106599
C 5.581372 -0.387041 0.156367
C -4.382094 0.818062 -0.509459
C -3.904265 -1.463198 -0.321198
C -5.623142 0.029290 -0.831905
C -5.345774 -1.295989 -0.721974
H 2.334396 2.185385 1.088053
H 2.293559 0.918754 2.336997
H 2.972181 0.427985 -0.639245
H 2.957889 -0.816921 0.625177
H 4.723199 0.487583 1.911232
H 4.842229 1.636519 0.554400
H 0.462974 2.471307 -0.486299
H 0.534192 -0.946564 2.184990
H -1.879508 1.922429 -1.134384
H -1.810731 -1.496966 1.551710
H -6.556554 0.524444 -1.099323
H -5.994048 -2.157561 -0.881278
H 6.769917 1.221226 -0.528577
H 8.148957 -1.162210 -0.464377
H 7.281158 -1.097691 -1.909967


