%chk=000131881.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000131881

0 1
 O    2.512300       1.473100      0.2649000    
 O    4.606300       1.277000       2.766900    
 O    4.288600      -3.177300      -2.704700    
 O    4.075900     -0.9325000       2.806400    
 O    3.858400     -0.9459000      -2.681200    
 O   -7.037700       2.177300      -1.005200    
 O   -8.518000      0.6605000     -0.1840000    
 O    2.860000       4.533600      -1.572400    
 O    3.870300       3.833200      0.3449000    
 N   -2.450200      0.1755000     -0.2070000    
 N    3.922400     -0.9538000      6.4400002E-02
 C   -1.717100     -0.8709000      0.2847000    
 C  -0.2755000     -0.8881000      0.2290000    
 C    2.512000     -0.9217000      0.1203000    
 C   -3.794600     -6.1500002E-02 -2.9600000E-02
 C   -3.913500      -1.304000      0.5970000    
 C   -2.594700      -1.802500      0.7897000    
 C    1.832500      0.2924000      0.2196000    
 C   0.4387000      0.3092000      0.2738000    
 C   0.4040000      -2.102200      0.1298000    
 C    1.797700      -2.119000      7.5199999E-02
 C   -4.903200      0.7207000     -0.3722000    
 C    4.704700      7.9899997E-02  0.7113000    
 C    4.603200      -2.012700     -0.6521000    
 C   -5.201000      -1.792000      0.8965000    
 C   -6.170100      0.2165000     -6.4700000E-02
 C   -6.319100      -1.020200      0.5598000    
 C    4.421800      6.4599998E-02   2.186200    
 C    4.206000      -1.965600      -2.099600    
 C    2.243100       2.415200     -0.7710000    
 C   -7.350300      0.9974000     -0.4033000    
 C    3.087100       3.643700     -0.5735000    
 H   -2.074500       1.001600     -0.6524000    
 H   -2.331000      -2.743600       1.254400    
 H  -7.7399999E-02   1.259500      0.3858000    
 H  -0.1277000      -3.049700      8.9000002E-02
 H    2.282400      -3.087800      1.5000000E-02
 H    4.623500       1.065100      0.2533000    
 H    5.775000     -0.1541000      0.6334000    
 H    4.386900      -2.994400     -0.2192000    
 H    5.692200      -1.891900     -0.6197000    
 H   -4.746800       1.678100     -0.8577000    
 H   -5.331200      -2.754300       1.383400    
 H   -7.305800      -1.410600      0.7980000    
 H    2.494100       1.969400      -1.740000    
 H    1.194200       2.727600     -0.7482000    
 H    4.424400       1.252500       3.730600    
 H    4.032800      -3.132000      -3.650600    
 H   -7.839300       2.696600      -1.229100    
 H    3.399400       5.346200      -1.468300    


%chk=000131881-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000131881

0 1
O 2.155840 1.936776 -0.340493
O 4.883493 0.831549 3.492558
O 5.057828 -2.987679 -2.077616
O 4.159719 -1.278387 2.835614
O 4.092225 -0.949027 -2.629597
O -7.645695 2.168927 0.768269
O -8.976784 0.308054 0.373010
O 4.209150 3.665116 -2.753927
O 4.645496 3.307054 -0.497970
N -2.791231 0.362589 0.280085
N 3.787926 -0.359936 0.154493
C -1.972694 -0.755789 0.036301
C -0.509217 -0.658428 0.032606
C 2.368939 -0.491584 0.088330
C -4.137943 -0.013730 0.223517
C -4.171002 -1.426578 -0.079674
C -2.806418 -1.866396 -0.190216
C 1.556966 0.663904 -0.135362
C 0.155972 0.587099 -0.139001
C 0.296016 -1.820063 0.189519
C 1.698568 -1.737586 0.218830
C -5.301205 0.749477 0.412555
C 4.348415 0.551659 1.158758
C 4.618525 -1.489577 -0.254280
C -5.434777 -2.070037 -0.207416
C -6.544200 0.080759 0.285557
C -6.602769 -1.318026 -0.024140
C 4.431176 -0.092201 2.546615
C 4.531800 -1.732696 -1.762505
C 2.828353 2.065248 -1.649111
C -7.823552 0.800846 0.465706
C 3.967330 3.059353 -1.514957
H -2.451810 1.282734 0.552330
H -2.467886 -2.869069 -0.444418
H -0.393384 1.512942 -0.343267
H -0.185175 -2.792175 0.338106
H 2.276923 -2.648248 0.399999
H 3.748498 1.476226 1.208994
H 5.361899 0.885738 0.868743
H 4.408251 -2.436848 0.279663
H 5.677196 -1.256952 -0.031274
H -5.280059 1.817346 0.646739
H -5.493376 -3.137785 -0.442655
H -7.591865 -1.778458 -0.111959
H 3.249245 1.092619 -1.979203
H 2.106265 2.422550 -2.405084
H 4.937198 0.397708 4.387449
H 5.036543 -3.124772 -3.063570
H -8.544969 2.579905 0.873346
H 5.001455 4.263948 -2.682393


