%chk=000014989.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000014989

0 1
 O   -1.934400      0.8837000      0.8232000    
 O   0.9950000       2.016500      -1.087300    
 O   -1.164800       2.336500      -2.946000    
 O   -3.627500       3.044900      -1.621400    
 O   -4.317400       1.153300       2.150000    
 O    2.834800      -1.408600      -1.542100    
 O    1.424800      -3.570600      -1.670300    
 O    4.850200      1.3700000E-02 -0.7695000    
 O   -3.744500      -3.326000      4.8000002E-03
 C  -0.5874000       1.317700      0.6185000    
 C   0.3233000      0.2843000       1.273900    
 C  -0.3054000       1.471400     -0.8800000    
 C   -1.323400       2.410300      -1.527700    
 C   -2.755200       2.015900      -1.162200    
 C   -2.896600       1.830900      0.3522000    
 C   4.3900002E-02  -1.088500      0.6967000    
 C    1.769600      0.7185000       1.149700    
 C   0.9127000      -1.692800     -0.2202000    
 C   -4.274500       1.305500      0.7427000    
 C    2.642700      0.1185000      0.2339000    
 C    2.183300      -1.028000     -0.5779000    
 C   -1.134500      -1.765900       1.051600    
 C    2.248700       1.776900       1.939400    
 C   0.6051000      -2.937600     -0.7835000    
 C    3.959900      0.5745000      9.7400002E-02
 C   -1.439100      -3.009300      0.4965000    
 C  -0.5718000      -3.592100     -0.4233000    
 C    3.562600       2.228200       1.809100    
 C    4.415800       1.629700      0.8861000    
 C   -2.696000      -3.711300      0.8855000    
 H  -0.4505000       2.285100       1.121900    
 H   9.2000000E-02  0.2169000       2.347100    
 H  -0.3555000      0.5103000      -1.403700    
 H   -1.131200       3.453600      -1.246600    
 H   -3.026400       1.090300      -1.685700    
 H   -2.736100       2.782200      0.8773000    
 H   -4.470800      0.3256000      0.2947000    
 H   -5.068600       1.995700      0.4442000    
 H   -1.811200      -1.338800       1.788300    
 H    1.194200       1.956200      -2.036500    
 H    1.594100       2.262300       2.659400    
 H  -0.3007000       2.722500      -3.166900    
 H   -3.493900       3.134400      -2.580500    
 H  -0.8061000      -4.560200     -0.8599000    
 H    3.917700       3.048900       2.425400    
 H    5.436100       1.994100      0.7980000    
 H   -3.605400      0.5403000       2.401200    
 H   -2.572000      -4.798600      0.8336000    
 H   -2.986200      -3.460600       1.911900    
 H    2.253700      -3.080100      -1.778900    
 H    5.703900      0.4746000     -0.7036000    
 H   -4.544300      -3.800200      0.2894000    


%chk=000014989-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000014989

0 1
O -1.920766 1.116750 0.914641
O 0.670368 1.631141 -1.795461
O -1.773949 2.107073 -3.170925
O -3.946910 3.042121 -1.560433
O -4.079882 1.858595 2.586434
O 3.330443 -1.738492 -1.203029
O 1.803081 -3.678106 -1.645288
O 5.155184 -0.037406 -0.316184
O -3.616304 -2.856311 1.021354
C -0.559844 1.321092 0.378490
C 0.337874 0.247122 1.100178
C -0.600916 1.229160 -1.169283
C -1.622417 2.234792 -1.718619
C -3.011380 2.009341 -1.113271
C -2.919578 2.101812 0.419712
C 0.116618 -1.148493 0.537085
C 1.793583 0.707436 1.127831
C 1.137823 -1.766601 -0.246672
C -4.223882 1.741595 1.133109
C 2.811069 0.052404 0.361575
C 2.471762 -1.168344 -0.412944
C -1.114114 -1.799877 0.733003
C 2.111919 1.825870 1.929155
C 0.868373 -3.048655 -0.859390
C 4.145672 0.580459 0.417247
C -1.362141 -3.066480 0.142325
C -0.378167 -3.682125 -0.656116
C 3.428975 2.325311 1.975042
C 4.441991 1.710655 1.217135
C -2.684406 -3.779585 0.368333
H -0.200454 2.335206 0.660830
H -0.039850 0.267639 2.141788
H -0.889051 0.202344 -1.471299
H -1.274041 3.260720 -1.464076
H -3.368772 1.000182 -1.413207
H -2.597929 3.124793 0.711044
H -4.527306 0.713394 0.841845
H -5.010956 2.452859 0.841212
H -1.905609 -1.325539 1.313605
H 1.341398 0.908749 -1.710744
H 1.327358 2.301919 2.527052
H -0.866863 2.169189 -3.567918
H -3.860973 3.102222 -2.547586
H -0.545785 -4.651388 -1.137679
H 3.668805 3.190635 2.601409
H 5.468110 2.099271 1.248305
H -3.305338 1.294852 2.844623
H -3.085318 -4.127403 -0.607985
H -2.507764 -4.677188 1.001807
H 2.632097 -3.048331 -1.675093
H 6.021021 0.421443 -0.158506
H -4.450158 -3.333122 1.255440


