%chk=000042693.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000042693

0 1
 O   -3.564900       1.896300     -9.6500002E-02
 O    2.674500       2.650700      0.8123000    
 N   -1.853500      -1.756500     -0.1766000    
 N   0.5840000     -0.5518000     -0.5196000    
 C   -2.604000      -2.918200     -0.6523000    
 C   -2.049000      -1.745900       1.272900    
 C   -2.271200      -3.984600      0.3806000    
 C   -1.910000      -3.214200       1.646800    
 C   -2.289100     -0.5182000     -0.8051000    
 C   -1.516300      0.6662000     -0.3130000    
 C  -0.1240000      0.6107000     -0.1881000    
 C   0.5633000       1.743600      0.2783000    
 C   -2.208300       1.831600      2.1400001E-02
 C    1.976400     -0.6662000     -0.4147000    
 C  -0.1280000       2.911400      0.6133000    
 C   -1.515700       2.950600      0.4829000    
 C    2.042600       1.682200      0.4109000    
 C    2.738500      0.4210000      4.4199999E-02
 C    2.629500      -1.854000     -0.7610000    
 C    4.128600      0.3232000      0.1550000    
 C    4.017600      -1.953300     -0.6510000    
 C    4.764500     -0.8676000     -0.1943000    
 C   -4.085400       2.342900      -1.346400    
 H   -2.298600      -3.222600      -1.658300    
 H   -3.685900      -2.733100     -0.6560000    
 H   -3.052300      -1.392500       1.545400    
 H   -1.311500      -1.142800       1.811400    
 H   -1.414200      -4.586500      5.6100000E-02
 H   -3.115000      -4.662400      0.5447000    
 H   -2.564500      -3.479500       2.483200    
 H  -0.8790000      -3.445900       1.939200    
 H   -3.367700     -0.3952000     -0.6510000    
 H   -2.138200     -0.5826000      -1.890900    
 H   7.7600002E-02  -1.352300     -0.8723000    
 H   0.3929000       3.793200      0.9751000    
 H   -2.052500       3.858800      0.7446000    
 H    2.062500      -2.710200      -1.118200    
 H    4.727900       1.157300      0.5085000    
 H    4.517300      -2.879100     -0.9217000    
 H    5.844400     -0.9502000     -0.1105000    
 H   -3.809100       3.387600      -1.521000    
 H   -5.175800       2.271800      -1.308200    
 H   -3.723300       1.718300      -2.169100    


%chk=000042693-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000042693

0 1
O -3.589248 1.791839 -0.692852
O 2.750051 2.854091 0.312632
N -1.801594 -1.889437 -0.253998
N 0.564687 -0.624834 -0.418444
C -2.373842 -3.155280 -0.800983
C -2.117818 -1.928137 1.206684
C -2.046421 -4.217283 0.282157
C -1.824067 -3.396541 1.600091
C -2.281730 -0.663127 -0.962066
C -1.527765 0.599415 -0.561918
C -0.111380 0.591904 -0.359903
C 0.610467 1.801571 -0.100044
C -2.199934 1.840611 -0.472180
C 1.942110 -0.724138 -0.244636
C -0.111046 3.018363 -0.025217
C -1.500424 3.053155 -0.197178
C 2.079833 1.786379 0.084821
C 2.725064 0.451970 -0.006192
C 2.578975 -1.998227 -0.303024
C 4.130399 0.324609 0.158310
C 3.968787 -2.095229 -0.133184
C 4.755428 -0.930458 0.096849
C -4.348382 3.041542 -0.589732
H -1.931527 -3.382429 -1.786967
H -3.477847 -3.060366 -0.934498
H -3.190266 -1.674887 1.379093
H -1.503069 -1.193575 1.754096
H -1.134184 -4.779590 0.018424
H -2.867845 -4.947413 0.379903
H -2.482625 -3.731493 2.419376
H -0.781900 -3.499972 1.948028
H -3.370344 -0.509381 -0.805400
H -2.132334 -0.844272 -2.046838
H -0.085764 -1.461747 -0.438485
H 0.462910 3.929537 0.173518
H -2.034093 4.004727 -0.131444
H 1.975444 -2.894497 -0.489207
H 4.696690 1.244880 0.337388
H 4.451773 -3.077966 -0.181945
H 5.839308 -1.018305 0.224623
H -4.262034 3.483001 0.421428
H -5.393078 2.756341 -0.782915
H -4.016264 3.776648 -1.347169


