%chk=000097802.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000097802

0 1
 O    5.458500      -2.549300      0.1437000    
 O   -5.455200       2.551100      0.1417000    
 N    1.279300     -0.6760000     -0.8413000    
 N   -1.278800      0.6712000     -0.8421000    
 C   0.7660000     -1.4800000E-02  -2.047400    
 C   0.7659000     -1.4100000E-02  0.3643000    
 C  -0.7665000      7.4999998E-03  -2.047100    
 C  -0.7664000      9.3999999E-03  0.3640000    
 C    2.740800     -0.6940000     -0.8414000    
 C   -2.740200      0.6912000     -0.8421000    
 C    3.300600      -1.492900      0.3445000    
 C   -3.298900       1.491800      0.3432000    
 C    2.785900      -2.936500      0.3602000    
 C   -2.782000       2.934800      0.3578000    
 C    4.827800      -1.499600      0.2656000    
 C   -4.826100       1.500700      0.2644000    
 C    5.579800     -0.2118000      0.3229000    
 C   -5.579900      0.2141000      0.3227000    
 C    5.040700      0.8352000       1.035000    
 C   -5.042200     -0.8332000       1.035500    
 C    6.783500     -0.1211000     -0.3381000    
 C   -6.783800      0.1246000     -0.3382000    
 C    5.743500       2.038900       1.088800    
 C   -5.746700      -2.035900       1.090300    
 C    7.486300       1.082600     -0.2841000    
 C   -7.488300      -1.078100     -0.2833000    
 C    6.966200       2.162500      0.4294000    
 C   -6.969800      -2.158200      0.4310000    
 H    1.101300     -0.5572000      -2.939700    
 H    1.149400       1.011800      -2.125400    
 H    1.152600       1.010900      0.4456000    
 H    1.056300     -0.5488000       1.273300    
 H   -1.102100      0.5484000      -2.940300    
 H   -1.150100      -1.019000      -2.123100    
 H   -1.153400      -1.015500      0.4453000    
 H   -1.057100      0.5442000       1.273000    
 H    3.097400      -1.162300      -1.769300    
 H    3.128700      0.3313000     -0.8527000    
 H   -3.096200       1.159300      -1.770400    
 H   -3.129600     -0.3335000     -0.8526000    
 H    3.042400      -1.055700       1.313000    
 H   -3.041400       1.055000       1.312100    
 H    3.009800      -3.450900     -0.5813000    
 H    3.252700      -3.509600       1.169400    
 H    1.703700      -2.976400      0.5193000    
 H   -3.005100       3.448700     -0.5841000    
 H   -3.248000       3.509100       1.166600    
 H   -1.699700       2.973100      0.5168000    
 H    4.101900      0.7706000       1.572600    
 H   -4.103400     -0.7695000       1.573100    
 H    7.197500     -0.9516000     -0.9017000    
 H   -7.196600      0.9551000     -0.9025000    
 H    5.340600       2.879000       1.647100    
 H   -5.345000      -2.876100       1.649200    
 H    8.437900       1.179600     -0.7985000    
 H   -8.440100      -1.174100     -0.7977000    
 H    7.513700       3.099600      0.4718000    
 H   -7.518700      -3.094400      0.4740000    


%chk=000097802-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000097802

0 1
O 5.750533 -1.976942 -1.110948
O -5.750276 1.975069 -1.113765
N 1.360390 -0.511406 -1.257055
N -1.360241 0.509265 -1.257860
C 0.762656 0.092096 -2.475213
C 0.763963 0.090015 -0.041270
C -0.762669 -0.096640 -2.474910
C -0.763653 -0.089775 -0.040983
C 2.839339 -0.462243 -1.269015
C -2.839187 0.460013 -1.269618
C 3.490871 -1.523436 -0.317524
C -3.490758 1.522369 -0.319459
C 3.120002 -2.954968 -0.748997
C -3.119719 2.953377 -0.752512
C 5.013565 -1.299202 -0.333607
C -5.013469 1.298229 -0.335490
C 5.625675 -0.236464 0.544305
C -5.625778 0.236593 0.543617
C 4.866855 0.576047 1.430752
C -4.867165 -0.574868 1.431205
C 7.032717 -0.040803 0.468694
C -7.032821 0.040927 0.468005
C 5.502035 1.557295 2.222489
C -5.502549 -1.555098 2.224039
C 7.666679 0.936472 1.259256
C -7.666984 -0.935330 1.259659
C 6.901975 1.739685 2.140393
C -6.902485 -1.737505 2.141918
H 1.192598 -0.406190 -3.363589
H 0.987859 1.186156 -2.545334
H 0.999224 1.183415 0.028081
H 1.180579 -0.407759 0.853922
H -1.192745 0.399866 -3.364218
H -0.987884 -1.190840 -2.542813
H -0.998898 -1.183039 0.030551
H -1.180135 0.409758 0.853287
H 3.180254 -0.685537 -2.297847
H 3.216683 0.559644 -1.012105
H -3.180168 0.681962 -2.298722
H -3.216465 -0.561565 -1.011371
H 3.116395 -1.346296 0.709314
H -3.116485 1.346390 0.707652
H 3.614633 -3.206691 -1.702763
H 3.447126 -3.696108 0.002083
H 2.026812 -3.026128 -0.878097
H -3.614143 3.204042 -1.706664
H -3.446943 3.695396 -0.002345
H -2.026504 3.024324 -0.881505
H 3.782247 0.449577 1.511087
H -3.782563 -0.448366 1.511593
H 7.600306 -0.673540 -0.221764
H -7.600247 0.672850 -0.223331
H 4.908728 2.178282 2.902585
H -4.909401 -2.175278 2.905009
H 8.751264 1.075816 1.193322
H -8.751566 -1.074684 1.193707
H 7.393055 2.500660 2.757296
H -7.393718 -2.497690 2.759672


