%chk=000161863.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000161863

0 1
 O   -3.161000     -0.6070000       1.070500    
 O   -2.676700       1.764700      -1.688400    
 O   -2.214800      -2.431500     -0.7118000    
 O   -1.445900       1.626000       1.730100    
 O    3.395100      -2.217000      -1.015900    
 O    1.675400       2.604300       1.204600    
 O   -4.803100      0.9706000       1.459300    
 O   -2.625200       3.993900      -1.084300    
 O   -1.331900      -2.242300       1.414600    
 O    5.904800      -1.441300     -0.3769000    
 N   0.6340000      -2.663400      -1.540000    
 N   0.6577000      -3.638600      -2.038200    
 C   -3.078700     -0.1886000     -0.2992000    
 C   -2.693800       1.313700     -0.3338000    
 C   -2.003000      -1.053400      -1.011600    
 C   -1.312400       1.589500      0.3113000    
 C  -0.6176000     -0.6335000     -0.6363000    
 C  -0.3141000      0.5330000     -3.3300001E-02
 C    1.135900      0.5544000      0.1326000    
 C   -4.456900     -0.4342000     -0.9260000    
 C   0.6031000      -1.376900     -0.8835000    
 C    1.668200     -0.6923000     -0.4306000    
 C    1.949800       1.489000      0.6801000    
 C    3.074900      -1.008200     -0.4462000    
 C    3.438800       1.167200      0.6755000    
 C    3.942400     -0.1167000      8.6599998E-02
 C   -4.069400      6.4700000E-02   1.831000    
 C   -2.380500       3.085200      -1.866300    
 C   -2.071200      -2.779600      0.6009000    
 C    4.374000       2.002700       1.190200    
 C    5.417000     -0.4166000      8.7700002E-02
 C   -4.045600     -0.4760000       3.228500    
 C   -1.695400       3.275200      -3.185700    
 C   -2.966300      -3.939200      0.9177000    
 C    5.787100       1.721000       1.196800    
 C    6.305400      0.6013000      0.6901000    
 H   -3.425500       1.942700      0.1736000    
 H   -2.096700     -0.9454000      -2.099400    
 H  -0.9066000       2.556700      5.5999998E-03
 H   -4.872700      -1.398300     -0.6115000    
 H   -5.197600      0.3330000     -0.6856000    
 H   -4.389100     -0.4410000      -2.020300    
 H   -2.044400       2.360500       1.949000    
 H    4.122000       2.958500       1.641300    
 H    4.357100      -2.340200     -0.9798000    
 H   -3.050900     -0.3414000       3.660800    
 H   -4.322300      -1.533300       3.221000    
 H   -4.768500      7.0000000E-02   3.841100    
 H   -2.356400       2.957300      -3.995800    
 H  -0.7627000       2.705700      -3.203000    
 H   -1.459600       4.334300      -3.322900    
 H   -2.684100      -4.801800      0.3091000    
 H   -4.008200      -3.663500      0.7370000    
 H   -2.855300      -4.204200       1.973000    
 H    6.439300       2.467900       1.638600    
 H    7.372000      0.4108000      0.7056000    


%chk=000161863-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000161863

0 1
O -3.036763 -0.418436 1.114107
O -2.523023 1.733156 -1.883171
O -2.557967 -2.367838 -0.851094
O -1.314922 2.009771 1.620755
O 3.505455 -2.228971 -0.735316
O 1.512637 2.469564 1.474238
O -4.600091 1.158988 1.880669
O -2.911559 4.005702 -1.504572
O -1.331861 -2.843198 1.111697
O 5.867834 -1.592902 -0.023575
N 0.572224 -2.691168 -1.385846
N 0.594614 -3.761389 -1.860338
C -3.111320 0.011358 -0.313186
C -2.592584 1.475207 -0.410689
C -2.109424 -0.955132 -1.033763
C -1.185442 1.710860 0.188834
C -0.682838 -0.668197 -0.651183
C -0.274949 0.535712 -0.064179
C 1.148190 0.476197 0.181333
C -4.530047 -0.151682 -0.879128
C 0.518740 -1.470433 -0.847517
C 1.655740 -0.746737 -0.311961
C 1.998498 1.429896 0.896925
C 3.052671 -1.108415 -0.243421
C 3.458092 1.096587 0.958478
C 3.950257 -0.132087 0.401831
C -3.747885 0.278364 2.116678
C -2.711046 3.069003 -2.301882
C -2.229657 -3.130266 0.299791
C 4.348185 1.995670 1.575753
C 5.349847 -0.428783 0.485346
C -3.285367 -0.193178 3.471373
C -2.626964 3.154301 -3.808874
C -3.116523 -4.355961 0.335412
C 5.734129 1.690347 1.645220
C 6.236942 0.494813 1.108459
H -3.299331 2.179573 0.058510
H -2.257018 -0.815431 -2.120438
H -0.766177 2.606393 -0.316888
H -4.860158 -1.198105 -0.771919
H -5.230873 0.506589 -0.344053
H -4.538017 0.109177 -1.951515
H -0.423186 2.382753 1.888466
H 3.947638 2.922963 1.995698
H 5.079674 -2.132662 -0.426303
H -2.382376 0.391308 3.726811
H -3.000766 -1.256634 3.451632
H -4.062761 -0.001962 4.226091
H -3.392939 2.508174 -4.271684
H -1.641581 2.798570 -4.156675
H -2.778792 4.195019 -4.128392
H -3.216009 -4.798375 -0.669137
H -4.128382 -4.064078 0.670478
H -2.703804 -5.092656 1.039956
H 6.421053 2.395435 2.124441
H 7.299884 0.241629 1.155217


