%chk=000134108.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000134108

0 1
 O    4.561700       1.767300     -0.5971000    
 O   -4.659100       1.812700     -0.4339000    
 O    5.944500     -0.4844000      0.2657000    
 O   -6.038900     -0.5298000      0.1445000    
 C   0.3703000     -0.6540000     -0.3090000    
 C  -0.4649000     -0.3343000      0.7116000    
 C  -9.2200004E-02  -1.136800      -1.670200    
 C  -2.3000001E-03  4.6799999E-02   2.104600    
 C    1.843900     -0.6057000     -0.1582000    
 C   -1.938600     -0.3826000      0.5606000    
 C    2.509300      0.5686000     -0.4518000    
 C   -2.605300      0.7482000      0.1310000    
 C  -0.3162000      1.1800000E-02  -2.645300    
 C   0.2207000       1.546700       2.249300    
 C    2.510400      -1.736500      0.2717000    
 C   -2.603600      -1.557000      0.8540000    
 C    3.896100      0.6139000     -0.3099000    
 C   -3.992000      0.7028000     -1.1000000E-02
 C    3.897300      -1.691300      0.4135000    
 C   -3.990400      -1.602600      0.7121000    
 C    4.590100     -0.5161000      0.1228000    
 C   -4.684600     -0.4727000      0.2796000    
 C    4.742800       2.694300      0.4716000    
 C   -3.876900       2.973000     -0.7097000    
 C    6.724900     -0.8473000     -0.8716000    
 C   -6.547200     -0.9351000      -1.125000    
 H   0.6402000      -1.833400      -2.098200    
 H   -1.017100      -1.718500      -1.586200    
 H   0.9231000     -0.4779000       2.367300    
 H  -0.7341000     -0.2813000       2.854000    
 H    1.973700       1.451600     -0.7908000    
 H   -2.013900       1.632700     -7.9200000E-02
 H   0.6136000      0.5547000      -2.842700    
 H  -0.6793000     -0.3784000      -3.601900    
 H   -1.055200      0.7282000      -2.277300    
 H   0.9571000       1.925700       1.536000    
 H  -0.7101000       2.104400       2.104800    
 H   0.5868000       1.772400       3.256400    
 H    1.980700      -2.657000      0.5010000    
 H   -2.072700      -2.442800       1.191800    
 H    4.431300      -2.575100      0.7520000    
 H   -4.523500      -2.521500      0.9409000    
 H    5.289500       3.559200      8.6099997E-02
 H    3.774500       3.033500      0.8532000    
 H    5.327400       2.242000       1.279100    
 H   -4.568400       3.757800      -1.033900    
 H   -3.374400       3.344600      0.1898000    
 H   -3.179900       2.802700      -1.537400    
 H    6.517400      -1.881300      -1.164700    
 H    7.781400     -0.7653000     -0.6023000    
 H    6.523700     -0.1715000      -1.708700    
 H   -6.223200     -0.2431000      -1.908800    
 H   -7.639500     -0.9222000      -1.076800    
 H   -6.219100      -1.952000      -1.362200    


%chk=000134108-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000134108

0 1
O 4.516906 1.873267 0.351056
O -4.711545 1.360679 -1.253391
O 6.112054 -0.503818 -0.281792
O -6.222641 -0.148219 0.646218
C 0.336428 -0.739875 -0.282847
C -0.458035 -0.380657 0.786484
C -0.227523 -1.278256 -1.599811
C 0.105696 -0.018559 2.161774
C 1.836726 -0.673461 -0.234759
C -1.957334 -0.346154 0.703528
C 2.512042 0.540722 0.061827
C -2.611583 0.453945 -0.273065
C 0.038197 -0.355808 -2.818379
C -0.156856 1.453900 2.572282
C 2.629716 -1.816970 -0.531499
C -2.763744 -1.051753 1.633522
C 3.919571 0.619812 0.066294
C -4.020148 0.541479 -0.339443
C 4.038095 -1.743611 -0.543311
C -4.170553 -0.991100 1.556351
C 4.696590 -0.526463 -0.266111
C -4.820373 -0.209094 0.577502
C 5.357431 1.887176 1.571718
C -3.911554 2.194459 -2.153575
C 6.701997 0.388764 -1.307319
C -6.989713 -0.346749 -0.600966
H 0.245096 -2.259767 -1.809742
H -1.310081 -1.466101 -1.501609
H 1.187444 -0.231283 2.200067
H -0.371604 -0.673074 2.919553
H 1.947984 1.450739 0.289344
H -1.994001 1.037210 -0.961969
H 1.119778 -0.176489 -2.953545
H -0.351937 -0.812189 -3.747025
H -0.449618 0.628470 -2.688562
H 0.344198 2.156449 1.881244
H -1.237791 1.681015 2.560280
H 0.222995 1.649219 3.592087
H 2.142507 -2.774981 -0.743062
H -2.295398 -1.678172 2.399916
H 4.651323 -2.620874 -0.773962
H -4.802062 -1.548033 2.255702
H 5.781981 2.901414 1.623777
H 4.732684 1.694574 2.464656
H 6.161141 1.131678 1.507201
H -4.644728 2.758922 -2.748561
H -3.271816 2.896888 -1.585341
H -3.281460 1.577661 -2.824125
H 6.439817 0.027457 -2.319932
H 7.790822 0.327211 -1.157995
H 6.349495 1.427869 -1.177936
H -6.773047 0.449738 -1.330588
H -8.044980 -0.314791 -0.289300
H -6.758787 -1.336317 -1.041660


