%chk=000038700.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000038700

0 1
 O  -0.1516000     -0.7297000       1.612200    
 O   0.2393000      -1.419800      -1.887300    
 O    5.633400      0.7689000      0.4349000    
 N   -2.733700     -0.5111000      0.5328000    
 N  -0.4416000      -1.121900      0.2974000    
 C   -4.936000       1.413000      0.1547000    
 C   -3.457600       1.820700      0.1294000    
 C   -5.097000      0.1028000      0.9354000    
 C   -2.537000      0.6778000     -0.3066000    
 C   -4.122900     -0.9840000      0.4731000    
 C   -5.519800       1.308200      -1.256600    
 C   -1.812300      -1.576100      0.1370000    
 C   0.4719000      -1.081000     -0.7282000    
 C    1.831800     -0.5939000     -0.4223000    
 C    2.798600      -1.498500     -2.0099999E-02
 C    2.108600      0.7567000     -0.5445000    
 C    4.083200      -1.038100      0.2691000    
 C    3.393100       1.217100     -0.2554000    
 C    4.380500      0.3197000      0.1515000    
 C    5.868900       2.169100      0.2936000    
 H   -5.499800       2.196400      0.6775000    
 H   -3.163900       2.146000       1.136500    
 H   -3.312100       2.684400     -0.5304000    
 H   -6.126500     -0.2658000      0.8545000    
 H   -4.921700      0.3036000       2.000900    
 H   -2.707100      0.4425000      -1.365100    
 H   -1.513300       1.060400     -0.2288000    
 H   -4.245000      -1.850000       1.135300    
 H   -4.382400      -1.316800     -0.5398000    
 H   -5.019200      0.5462000      -1.860800    
 H   -6.584400       1.054400      -1.213700    
 H   -5.428200       2.264900      -1.782000    
 H   -1.985300      -1.903800     -0.8948000    
 H   -1.930000      -2.445300      0.7947000    
 H  -0.4433000      0.1972000       1.593300    
 H    2.574100      -2.557100      7.3799998E-02
 H    1.343200       1.460200     -0.8603000    
 H    4.848100      -1.741900      0.5860000    
 H    3.555200       2.283700     -0.3672000    
 H    5.257900       2.752300      0.9909000    
 H    5.740900       2.495900     -0.7440000    
 H    6.915900       2.349200      0.5586000    


%chk=000038700-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000038700

0 1
O -0.540851 -0.877604 1.192813
O 0.505536 -0.654804 -2.292473
O 5.635850 1.109222 1.199765
N -2.742459 -0.556357 -0.084479
N -0.431498 -1.081644 -0.244892
C -5.099941 1.105985 0.608470
C -3.707472 1.714136 0.282284
C -4.906928 -0.347051 1.125835
C -2.883518 0.815431 -0.660526
C -4.057452 -1.208617 0.168585
C -6.075334 1.184046 -0.591559
C -1.758414 -1.399286 -0.818016
C 0.637032 -0.621147 -1.016141
C 1.909935 -0.172233 -0.369605
C 2.247765 -0.330235 1.005900
C 2.863069 0.425366 -1.235882
C 3.494548 0.102796 1.487136
C 4.111524 0.871629 -0.763066
C 4.428940 0.709736 0.610482
C 6.641944 1.731541 0.334805
H -5.544515 1.699913 1.432699
H -3.138228 1.851475 1.222940
H -3.823830 2.713203 -0.179853
H -5.889902 -0.834142 1.274892
H -4.400038 -0.317881 2.110773
H -3.360315 0.761363 -1.665773
H -1.870649 1.233185 -0.801634
H -3.869504 -2.200633 0.619076
H -4.605860 -1.375504 -0.787418
H -5.708448 0.622329 -1.469602
H -7.064659 0.770383 -0.321293
H -6.223145 2.233285 -0.907685
H -1.697230 -1.206386 -1.904236
H -2.003787 -2.461183 -0.633421
H -1.537862 -0.562234 1.195244
H 1.533003 -0.790135 1.689861
H 2.600521 0.520618 -2.294671
H 3.767939 -0.017740 2.539830
H 4.819037 1.330869 -1.459794
H 6.260869 2.668378 -0.115988
H 6.967242 1.039674 -0.466084
H 7.489986 1.956754 0.997900


