%chk=000096190.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000096190

0 1
 O    2.882500       3.842700     -0.4420000    
 O   -5.161200      0.2477000     -0.3676000    
 N   0.8387000       2.840300     -0.6878000    
 N    2.526900      0.8701000      0.8575000    
 N   -3.240800     -0.8256000      0.4801000    
 C   0.1603000      0.6143000      0.1995000    
 C  -0.1250000       1.850500     -0.4032000    
 C    1.561200      0.1391000      0.4151000    
 C  -0.8912000     -0.2635000      0.5109000    
 C   -2.205500      5.8499999E-02  0.1747000    
 C    1.899600      -1.271000      6.6799998E-02
 C   -1.445600       2.138400     -0.7798000    
 C    2.258200       2.245100       1.218100    
 C   -2.480500       1.250800     -0.4861000    
 C    2.045700       3.028000     -5.0299998E-02
 C    1.212800      -1.907600     -0.9592000    
 C    2.898200      -1.930800      0.7719000    
 C    1.529500      -3.226300      -1.285200    
 C    3.214800      -3.249500      0.4456000    
 C    2.530400      -3.897200     -0.5829000    
 C   -4.607400     -0.6860000      0.2039000    
 C   -5.401700      -1.868000      0.7001000    
 H  -0.6923000      -1.205900       1.017600    
 H   -1.685500       3.075900      -1.277400    
 H   0.5885000       3.527900      -1.394000    
 H    3.131700       2.655200       1.736700    
 H    1.409500       2.354100       1.902900    
 H   -3.468500       1.563500     -0.7940000    
 H   0.4580000      -1.406000      -1.557200    
 H    3.438400      -1.450400       1.582900    
 H   -2.957400      -1.677300      0.9603000    
 H    1.003600      -3.727800      -2.092400    
 H    3.993100      -3.772900      0.9934000    
 H    2.778200      -4.923400     -0.8380000    
 H   -5.071200      -2.775900      0.1879000    
 H   -6.464700      -1.711800      0.4971000    
 H   -5.260400      -1.984100       1.778300    


%chk=000096190-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000096190

0 1
O 2.821793 4.073465 -0.328216
O -5.230547 0.347251 -0.239976
N 0.922134 2.812272 -0.765361
N 2.526966 0.852069 0.870927
N -3.303854 -0.804282 0.452013
C 0.160919 0.595468 0.113042
C -0.108605 1.886909 -0.442096
C 1.556062 0.111921 0.370083
C -0.938208 -0.255669 0.395681
C -2.273097 0.119100 0.120099
C 1.898514 -1.314282 0.053283
C -1.449478 2.244234 -0.744101
C 2.240321 2.253460 1.247668
C -2.526796 1.384969 -0.479468
C 2.052516 3.133847 0.003576
C 1.246587 -2.025825 -0.990446
C 2.938683 -1.958420 0.776168
C 1.622632 -3.352081 -1.298191
C 3.307472 -3.284681 0.473461
C 2.649636 -3.988685 -0.564350
C -4.685961 -0.674880 0.268663
C -5.484166 -1.886898 0.747594
H -0.729653 -1.237845 0.836938
H -1.649900 3.229288 -1.181910
H 0.746606 3.461066 -1.539686
H 3.099388 2.653743 1.804766
H 1.323448 2.337720 1.873334
H -3.552826 1.675809 -0.709337
H 0.464723 -1.535270 -1.580028
H 3.450133 -1.392874 1.560953
H -2.987322 -1.678797 0.878496
H 1.122091 -3.883654 -2.115220
H 4.107655 -3.770916 1.042464
H 2.939193 -5.018633 -0.801307
H -5.223032 -2.792317 0.168722
H -6.554206 -1.677723 0.608788
H -5.298923 -2.097756 1.817173


