%chk=000044267.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000044267

0 1
 O    2.609600       1.637900     -0.8686000    
 O   -3.727300     -0.5113000     -0.7946000    
 O    4.654500       2.437500     -0.1506000    
 O   -5.802100      -1.196200     -4.3900002E-02
 C   0.5753000     -0.5924000      0.4058000    
 C  -0.7865000     -0.9817000      0.4265000    
 C   0.8401000      0.7991000      0.4813000    
 C   -1.806300     -1.8400000E-02  0.5180000    
 C  -0.1774000       1.768000      0.5731000    
 C   -1.520800       1.351600      0.5915000    
 C    1.594700      -1.606400      0.3113000    
 C    1.210200      -2.970900      0.2412000    
 C   -1.125900      -2.335600      0.3556000    
 C    2.225800       1.377900      0.4725000    
 C   -3.247200     -0.4587000      0.5379000    
 C  -0.1430000      -3.315200      0.2643000    
 C   0.1154000       3.140900      0.6466000    
 C   -2.541300       2.313600      0.6830000    
 C    2.986300      -1.337200      0.2824000    
 C    2.179400      -3.984400      0.1485000    
 C  -0.9070000       4.085900      0.7371000    
 C   -2.234800       3.672300      0.7552000    
 C    3.940300      -2.354500      0.1897000    
 C    3.536500      -3.678700      0.1228000    
 C    3.858100       2.171500      -1.040700    
 C   -5.032200     -0.8981000     -0.9469000    
 C    4.125000       2.390900      -2.499000    
 C   -5.399200     -0.9072000      -2.399900    
 H   -2.143500      -2.708500      0.3298000    
 H    2.296100       2.314100       1.031800    
 H    2.929400      0.8591000       1.126200    
 H   -3.391400      -1.420000       1.041300    
 H   -3.876800      0.2003000       1.144500    
 H  -0.4516000      -4.357400      0.2036000    
 H    1.099400       3.586900      0.5760000    
 H   -3.598600       2.073500      0.6702000    
 H    3.475900     -0.4018000      0.1204000    
 H    1.882600      -5.030300      9.2600003E-02
 H  -0.6685000       5.144800      0.7771000    
 H   -3.032100       4.407600      0.8149000    
 H    4.996700      -2.107700      0.1267000    
 H    4.273100      -4.472100      4.0399998E-02
 H    3.391700       3.090300      -2.908200    
 H    4.085400       1.436400      -3.029800    
 H    5.123600       2.819000      -2.624900    
 H   -4.765600      -1.617300      -2.937100    
 H   -5.289800      9.7700000E-02  -2.815400    
 H   -6.442100      -1.218300      -2.509100    


%chk=000044267-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000044267

0 1
O 3.090607 1.498271 -0.553788
O -4.136896 -0.185714 -0.475710
O 3.781303 3.536541 0.364049
O -4.556281 -2.473000 -0.222217
C 0.502933 -0.607382 0.315152
C -0.921007 -0.916478 0.480558
C 0.918406 0.752700 0.441657
C -1.885046 0.128413 0.548618
C -0.057525 1.813250 0.442622
C -1.474377 1.496251 0.425405
C 1.434366 -1.732895 0.072542
C 0.988064 -3.083145 0.313015
C -1.322809 -2.307189 0.627309
C 2.359030 1.125885 0.718713
C -3.346466 -0.165224 0.812733
C -0.403587 -3.329801 0.617626
C 0.328271 3.201755 0.447474
C -2.427136 2.572226 0.335258
C 2.747272 -1.572733 -0.474161
C 1.884960 -4.180192 0.154697
C -0.622262 4.219088 0.384997
C -2.015175 3.902269 0.310859
C 3.612191 -2.668223 -0.644111
C 3.197223 -3.980379 -0.295702
C 3.769924 2.722785 -0.587982
C -4.671660 -1.413958 -0.881934
C 4.451053 2.901921 -1.927190
C -5.379704 -1.261011 -2.210158
H -2.381459 -2.554479 0.737838
H 2.437108 1.985812 1.402736
H 2.922078 0.280094 1.139793
H -3.511659 -1.122372 1.327301
H -3.815876 0.639498 1.397577
H -0.729503 -4.365548 0.768219
H 1.384967 3.479260 0.481430
H -3.492478 2.340996 0.249697
H 3.076348 -0.595752 -0.833085
H 1.518146 -5.192173 0.363557
H -0.299657 5.265825 0.378285
H -2.754018 4.707049 0.230352
H 4.608322 -2.505445 -1.070440
H 3.879620 -4.828411 -0.417780
H 3.697866 2.906130 -2.734303
H 5.137976 2.060834 -2.122952
H 5.008551 3.849321 -1.934815
H -4.639151 -1.052484 -3.002554
H -6.078095 -0.408268 -2.179632
H -5.920655 -2.187415 -2.450457


