%chk=000146608.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000146608

0 1
 O   -2.545600      -1.454300     -0.9021000    
 O   -2.204800      -2.704800       1.085700    
 O   -2.008000       3.633500       1.022200    
 O   -4.000400       3.044400     -0.1971000    
 O   0.7023000     -4.0800001E-02  -2.192800    
 O    2.113300     -0.6094000       2.354800    
 O    5.124200       1.161400     -0.8864000    
 C  -0.2899000      -2.201300     -0.3377000    
 C   6.6999998E-03 -0.8858000      0.4456000    
 C   -1.804600      -2.517400     -0.2760000    
 C   -1.104000      0.1385000      0.2654000    
 C    1.384600     -0.3346000      8.6999997E-02
 C   0.5782000      -3.349900      0.2007000    
 C   -2.297600     -0.2028000     -0.4049000    
 C   -2.162300      -3.783700      -1.062200    
 C  -0.9690000       1.435700      0.7967000    
 C   -3.310000      0.7419000     -0.6152000    
 C    1.652100      5.7900000E-02  -1.220700    
 C    2.363000     -0.2288000       1.070500    
 C   -1.988800       2.343000      0.5907000    
 C   -3.124900       2.007300     -0.1031000    
 C   -3.589500      -2.996600       1.178600    
 C    2.910900      0.5614000      -1.548300    
 C    3.621900      0.2748000      0.7427000    
 C    3.895700      0.6700000     -0.5666000    
 C   -3.285300       4.073000      0.5172000    
 C    1.069600      0.3862000      -3.502900    
 C    3.178000     -0.4637000       3.292300    
 C    6.084000       1.245100      0.1660000    
 H  -4.1099999E-02  -2.086300      -1.398000    
 H  -2.6900001E-02  -1.138400       1.514200    
 H   0.3543000      -3.563100       1.251100    
 H   0.4219000      -4.268900     -0.3722000    
 H    1.644000      -3.111800      0.1256000    
 H   -1.864200      -4.695900     -0.5353000    
 H   -3.237300      -3.851500      -1.266500    
 H   -1.681600      -3.774100      -2.047500    
 H  -8.3800003E-02   1.730300       1.351100    
 H   -4.218800      0.4819000      -1.147700    
 H   -3.875400      -2.881700       2.229000    
 H   -3.795000      -4.037400      0.9121000    
 H   -4.217700      -2.315900      0.5972000    
 H    3.190300      0.8863000      -2.545000    
 H    4.387600      0.3609000       1.498400    
 H   -3.900300       4.407000       1.360800    
 H   -3.123000       4.921300     -0.1578000    
 H    1.302900       1.456200      -3.528700    
 H   0.1956000      0.2373000      -4.145500    
 H    1.875800     -0.2287000      -3.917400    
 H    3.458600      0.5864000       3.428400    
 H    4.032200      -1.101300       3.039400    
 H    2.801600     -0.8145000       4.259200    
 H    5.765800       1.941500      0.9495000    
 H    7.000900       1.657200     -0.2685000    
 H    6.339100      0.2556000      0.5607000    


%chk=000146608-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000146608

0 1
O -2.713242 -1.553496 -0.765500
O -1.995378 -2.749320 1.200498
O -1.918593 3.838213 0.484303
O -4.033248 3.165552 -0.420364
O 0.751443 0.030873 -2.220401
O 1.942224 -0.772805 2.335219
O 5.234058 1.194506 -0.809294
C -0.333166 -2.215786 -0.449463
C -0.036645 -0.902496 0.345776
C -1.813459 -2.621690 -0.243118
C -1.130385 0.147619 0.120595
C 1.362022 -0.362341 0.055064
C 0.634737 -3.346642 -0.043623
C -2.396725 -0.223865 -0.399530
C -2.252777 -3.866466 -1.020253
C -0.906391 1.510571 0.468219
C -3.446522 0.711817 -0.612006
C 1.745780 0.113609 -1.233977
C 2.349828 -0.299651 1.071495
C -1.938082 2.424841 0.269902
C -3.182532 2.034292 -0.265236
C -3.349558 -3.098760 1.649496
C 3.032979 0.627998 -1.496524
C 3.657190 0.206872 0.844282
C 3.980077 0.669033 -0.450389
C -3.333858 4.246961 0.323050
C 1.027057 0.626156 -3.529578
C 2.895730 -0.704590 3.440920
C 6.260246 1.269480 0.230789
H -0.222203 -2.000208 -1.528055
H -0.062267 -1.175994 1.417014
H 0.466339 -3.641267 1.007018
H 0.511062 -4.238539 -0.683716
H 1.679652 -3.004501 -0.145383
H -1.814001 -4.774311 -0.575139
H -3.352211 -3.955128 -1.013791
H -1.925308 -3.788421 -2.070604
H 0.064101 1.824800 0.861931
H -4.403207 0.385191 -1.024454
H -3.338673 -2.953331 2.741088
H -3.595917 -4.155024 1.423398
H -4.104891 -2.434597 1.190460
H 3.331414 0.996140 -2.480016
H 4.391454 0.238635 1.650934
H -3.799543 4.349586 1.323975
H -3.376405 5.173053 -0.269370
H 1.262644 1.703470 -3.436779
H 0.096816 0.496370 -4.101904
H 1.859181 0.105602 -4.042553
H 3.206220 0.339033 3.644710
H 3.790395 -1.327392 3.243876
H 2.352885 -1.104471 4.310185
H 5.940656 1.922304 1.066841
H 7.139855 1.706960 -0.264057
H 6.514447 0.264152 0.620742


