%chk=000087986.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000087986

0 1
 O    2.994300     -0.2846000     -9.7000003E-02
 O   -2.994600      0.2826000     -0.1160000    
 O    1.856700       1.720600     -0.1738000    
 O   -1.859200      -1.725000     -0.1709000    
 N    6.663600      8.4100001E-02 -4.9800001E-02
 N   -6.663700     -8.2999997E-02 -4.2300001E-02
 C    5.373900     -0.5898000     -4.0500000E-02
 C   -5.373500      0.5902000     -5.0099999E-02
 C    4.239400      0.4211000     -9.0599999E-02
 C   -4.240000     -0.4222000     -9.2399999E-02
 C   0.6537000     -0.3963000     -0.1515000    
 C  -0.6544000      0.3908000     -0.1856000    
 C    1.875000      0.4980000     -0.1407000    
 C   -1.876300     -0.5019000     -0.1551000    
 C    6.989100      0.5991000       1.282500    
 C    7.718100     -0.8211000     -0.5131000    
 C   -6.981800     -0.5787000       1.299000    
 C   -7.720300      0.8163000     -0.5123000    
 H    5.266900      -1.229800     -0.9273000    
 H    5.258400      -1.265800      0.8174000    
 H   -5.271300       1.217500     -0.9465000    
 H   -5.252600       1.278200      0.7974000    
 H    4.311600       1.028900      -1.001000    
 H    4.254200       1.081500      0.7828000    
 H   -4.317900      -1.042800     -0.9936000    
 H   -4.250100      -1.070100      0.7905000    
 H   0.6820000      -1.023100      0.7475000    
 H   0.7139000      -1.048300      -1.030700    
 H  -0.6966000      0.9987000      -1.096900    
 H  -0.7000000       1.061500      0.6806000    
 H    6.264400       1.348200       1.615400    
 H    7.960600       1.106700       1.266200    
 H    7.036000     -0.1970000       2.034700    
 H    7.514500      -1.160000      -1.535100    
 H    7.817400      -1.702200      0.1314000    
 H    8.683800     -0.3041000     -0.5436000    
 H   -6.255500      -1.323500       1.638400    
 H   -7.953700      -1.086000       1.295500    
 H   -7.023800      0.2280000       2.040100    
 H   -7.522400       1.140500      -1.540100    
 H   -7.815300       1.706600      0.1201000    
 H   -8.686500      0.2997000     -0.5298000    


%chk=000087986-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000087986

0 1
O 3.010376 -0.398078 -0.185084
O -3.007162 0.376867 -0.176659
O 1.974392 1.432039 -1.188612
O -1.980040 -1.488090 -1.123429
N 6.737862 -0.115085 0.103673
N -6.736372 0.125354 0.116640
C 5.365159 -0.633645 0.304891
C -5.361060 0.643172 0.300495
C 4.342425 0.225654 -0.448131
C -4.341507 -0.252339 -0.413521
C 0.621732 -0.469998 -0.364612
C -0.619681 0.438676 -0.372333
C 1.895881 0.312954 -0.629487
C -1.896360 -0.350915 -0.602889
C 7.025201 1.098073 0.897737
C 7.771199 -1.153283 0.296040
C -7.032792 -1.055530 0.954793
C -7.763875 1.176117 0.267235
H 5.315293 -1.661923 -0.096376
H 5.078325 -0.688861 1.384869
H -5.303993 1.653567 -0.143034
H -5.076672 0.741411 1.378072
H 4.538041 0.218362 -1.534144
H 4.313392 1.273932 -0.103194
H -4.536495 -0.291883 -1.498947
H -4.316799 -1.284638 -0.023028
H 0.724545 -1.026618 0.582384
H 0.514300 -1.237586 -1.156495
H -0.519478 1.183036 -1.187030
H -0.714027 1.022676 0.558979
H 6.300564 1.896491 0.664002
H 8.030665 1.475533 0.640725
H 6.994362 0.914642 2.002275
H 7.577540 -2.004236 -0.380506
H 7.820888 -1.545498 1.343665
H 8.762946 -0.737034 0.043342
H -6.313324 -1.866970 0.751722
H -8.040525 -1.435390 0.710478
H -7.002227 -0.831616 2.051864
H -7.562807 2.000583 -0.439296
H -7.814516 1.606617 1.299661
H -8.757378 0.756963 0.026464


