%chk=000158576.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000158576

0 1
 O    1.728500     -0.4452000     -0.3552000    
 O  -0.2267000      0.6131000      0.3519000    
 O    4.052000       1.949300       2.040700    
 O    1.315400       2.770900       1.326600    
 O    5.256700      0.5017000     -0.1731000    
 O    4.754000      -1.755000      -1.562600    
 O    2.777300      -2.700200     -0.9342000    
 O   -3.857300       2.907000      -1.283800    
 O   -2.207200      -3.433100       1.259700    
 O   -1.795100       2.184200      -1.493400    
 O  -0.6432000      -2.243000      0.2817000    
 N   -2.977600       2.031700      -1.106600    
 N   -1.825500      -2.395300      0.6694000    
 C    3.364000       1.591800      0.8411000    
 C    1.867100       1.469500       1.128100    
 C    3.945300      0.2700000      0.3385000    
 C    1.131700      0.8100000     -3.8800001E-02
 C    3.081900     -0.3115000     -0.7741000    
 C    3.485600      -1.716100      -1.086200    
 C  -0.9785000      1.6000000E-03 -0.6848000    
 C   -2.393900     -0.1809000     -0.2212000    
 C   -3.333500      0.8244000     -0.4435000    
 C   -2.766300      -1.355200      0.4308000    
 C   -4.649300      0.6548000     -1.2700000E-02
 C   -4.082000      -1.524700      0.8617000    
 C   -5.023600     -0.5197000      0.6400000    
 H    3.548000       2.402700      0.1254000    
 H    1.699500      0.9043000       2.053400    
 H    4.042600     -0.4356000       1.172900    
 H    1.145200       1.467000     -0.9193000    
 H    3.125200      0.2707000      -1.702900    
 H    4.998700       2.009900       1.826200    
 H    1.808400       3.187100       2.054400    
 H    5.184900       1.126400     -0.9148000    
 H  -0.5200000     -0.8997000      -1.091400    
 H  -0.8582000      0.5122000      -1.640400    
 H    5.039000      -2.669900      -1.772200    
 H   -5.412700       1.413400     -0.1659000    
 H   -4.413800      -2.424400       1.373800    
 H   -6.048200     -0.6518000      0.9756000    


%chk=000158576-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000158576

0 1
O 1.966788 -0.620584 -0.308294
O -0.120387 0.037290 0.531203
O 3.733034 2.689990 1.545089
O 0.897760 2.651623 1.145561
O 5.242699 1.257716 -0.416392
O 5.364047 -1.298736 -1.337930
O 3.449358 -2.594466 -1.575824
O -2.384634 3.047430 0.035155
O -3.724942 -3.906369 0.166814
O -1.388549 1.757998 -1.554428
O -1.688847 -3.290577 0.985467
N -2.166736 1.920039 -0.537700
N -2.855496 -3.017991 0.514211
C 3.134511 1.878577 0.483524
C 1.742545 1.472837 0.994270
C 4.020047 0.673760 0.132901
C 1.076450 0.549198 -0.035046
C 3.246109 -0.211362 -0.889895
C 3.959706 -1.502517 -1.292537
C -0.923390 -0.804036 -0.390021
C -2.378773 -0.567085 -0.016189
C -2.942146 0.740205 -0.043656
C -3.276185 -1.587284 0.396934
C -4.266527 1.025870 0.345468
C -4.626175 -1.345192 0.741209
C -5.117207 -0.028151 0.733508
H 3.017076 2.490594 -0.439031
H 1.848290 0.921692 1.951448
H 4.228582 0.073680 1.043111
H 0.883353 1.080667 -0.996317
H 3.096590 0.391438 -1.817904
H 4.647815 2.937176 1.252321
H 1.403797 3.307185 1.692685
H 5.825138 0.510091 -0.718548
H -0.624801 -1.850824 -0.256661
H -0.748514 -0.488519 -1.434275
H 5.811378 -2.138345 -1.630431
H -4.611109 2.063184 0.331308
H -5.261019 -2.190245 1.019547
H -6.151236 0.176443 1.024146


