%chk=000094288.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000094288

0 1
 O   -4.323500      0.2956000     -0.7081000    
 O    1.904600      -1.556300       1.618100    
 O   3.5799999E-02  8.6700000E-02  -2.364200    
 O    2.771300       2.723600      0.2088000    
 N    2.256800      0.6136000      0.9625000    
 N    1.322800       1.434600      -1.026400    
 C   0.4396000     -0.6545000     -9.0899996E-02
 C  -0.8182000     -0.2161000      0.6805000    
 C   -2.030900     -0.2045000     -0.2675000    
 C   0.2500000      -2.092500     -0.5952000    
 C    1.605000     -0.6086000      0.8923000    
 C   0.5848000      0.2884000      -1.281200    
 C   -1.029600      -1.132000       1.886100    
 C   -3.353200      0.2779000      0.3408000    
 C    1.506100      -2.600200      -1.266900    
 C   -3.268100       1.673500      0.9438000    
 C    2.146900       1.670900      6.7299999E-02
 H  -0.6637000      0.8020000       1.060900    
 H   -2.229000      -1.199200     -0.6806000    
 H   -1.861300      0.4497000      -1.127100    
 H  -0.5556000      -2.177200      -1.331300    
 H   2.5100000E-02  -2.800400      0.2074000    
 H   -1.301300      -2.155800       1.617100    
 H   -1.870900     -0.7549000       2.480600    
 H  -0.1930000      -1.149500       2.586400    
 H   -3.705900     -0.4339000       1.094500    
 H    1.813900      -1.969300      -2.106200    
 H    2.353000      -2.690200     -0.5813000    
 H    1.324400      -3.602300      -1.672000    
 H    2.946000      0.7187000       1.701900    
 H    1.323600       2.145000      -1.753100    
 H   -2.900900       2.396200      0.2069000    
 H   -4.261400       2.018500       1.251600    
 H   -2.615600       1.701600       1.820600    
 H   -5.173600      0.5601000     -0.3170000    


%chk=000094288-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000094288

0 1
O -4.529427 -0.080045 -0.152616
O 2.025645 -1.772603 1.516537
O 0.002235 0.360543 -2.240178
O 2.636791 2.762002 0.734595
N 2.202979 0.506965 1.187802
N 1.222178 1.553460 -0.684667
C 0.431805 -0.742872 -0.067986
C -0.877048 -0.384923 0.818009
C -2.178254 -0.472534 -0.028214
C 0.301712 -2.119923 -0.771921
C 1.618363 -0.749689 0.911085
C 0.542082 0.388368 -1.104945
C -0.992603 -1.267950 2.084045
C -3.305279 0.440639 0.496006
C 1.523863 -2.507093 -1.632414
C -3.098174 1.929557 0.159419
C 2.051768 1.689652 0.442787
H -0.737559 0.666353 1.148232
H -2.561328 -1.509786 -0.009599
H -2.001729 -0.212260 -1.087539
H -0.596642 -2.091494 -1.411198
H 0.144737 -2.888599 0.004690
H -1.008768 -2.341184 1.827596
H -1.940293 -1.035853 2.602835
H -0.169586 -1.104902 2.799825
H -3.403736 0.324000 1.599011
H 1.693994 -1.775201 -2.442100
H 2.439966 -2.590404 -1.021718
H 1.352365 -3.489575 -2.107232
H 2.899510 0.541135 1.939493
H 1.188182 2.363279 -1.312649
H -3.045145 2.067047 -0.935547
H -3.929828 2.547057 0.550426
H -2.165722 2.321760 0.606761
H -5.283055 0.534272 0.040471


