%chk=000062954.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000062954

0 1
 O    3.922300     -0.6259000     -0.2315000    
 O   -6.900500     -0.1270000      0.9499000    
 O    5.450900      0.8387000      0.6933000    
 C    1.463400     -0.3230000     -0.2628000    
 C   0.6230000      0.9604000     -7.8599997E-02
 C  -0.8052000      0.8178000     -0.6132000    
 C   -1.516500     -0.3426000      0.1427000    
 C    2.849300      0.1705000      0.2524000    
 C   0.7843000      -1.454900      0.5292000    
 C    1.514400       2.057300     -0.6559000    
 C  -0.6848000      -1.649900      0.1111000    
 C    2.954000       1.597400     -0.3456000    
 C   -2.969900     -0.5482000     -0.3847000    
 C   -1.608500       2.114500     -0.4502000    
 C    1.594800     -0.7747000      -1.747400    
 C   -3.018000       1.949800      -1.007300    
 C   -3.737500      0.7674000     -0.4073000    
 C   -3.699300      -1.622100      0.4488000    
 C    2.949400      0.2368000       1.723800    
 C    2.398200      -2.044900      -1.838200    
 C   -5.197300      -1.637600      0.2001000    
 C   -4.999100      0.9058000      3.0600000E-02
 C   -5.780600     -0.2744000      0.4660000    
 C    5.179200     -0.1736000      6.1999999E-02
 C    3.030700      0.2903000       2.920200    
 C    6.203400      -1.107800     -0.5073000    
 H   0.5297000       1.174400      0.9982000    
 H  -0.7769000      0.5856000      -1.684600    
 H   -1.588100     -4.4799998E-02   1.200700    
 H   0.7676000      -1.201200       1.596900    
 H    1.307900      -2.412300      0.4808000    
 H    1.303700       3.030800     -0.2011000    
 H    1.373500       2.162100      -1.737500    
 H  -0.7350000      -2.098500     -0.8873000    
 H   -1.123600      -2.383700      0.7970000    
 H    3.541800       1.616300      -1.271800    
 H    3.420900       2.314300      0.3408000    
 H   -2.914500     -0.9032000      -1.423600    
 H   -1.115500       2.936900     -0.9811000    
 H   -1.657200       2.400700      0.6083000    
 H    2.073200     -4.3000001E-03  -2.362300    
 H   0.6183000     -0.9454000      -2.209800    
 H   -2.962700       1.804900      -2.094000    
 H   -3.573800       2.881100     -0.8445000    
 H   -3.520500      -1.444700       1.518100    
 H   -3.298200      -2.615500      0.2181000    
 H    3.280300      -1.885600      -2.470300    
 H    2.745300      -2.500300     -0.9101000    
 H    1.805200      -2.812900      -2.350400    
 H   -5.671100      -2.361000      0.8724000    
 H   -5.427700      -1.922300     -0.8321000    
 H   -5.514800       1.859700      1.4900000E-02
 H    3.102500      0.3377000       3.981600    
 H    6.100000      -1.151600      -1.594400    
 H    6.082200      -2.101400     -6.8499997E-02
 H    7.204600     -0.7395000     -0.2663000    


%chk=000062954-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000062954

0 1
O 3.994373 -0.611481 -0.150585
O -7.022164 -0.277773 0.927005
O 5.644803 0.848552 0.651485
C 1.514748 -0.268371 -0.282134
C 0.640624 1.024917 -0.120455
C -0.805390 0.864151 -0.628811
C -1.484269 -0.322581 0.122284
C 2.875336 0.297128 0.301216
C 0.836197 -1.401605 0.517393
C 1.524163 2.153511 -0.709813
C -0.625258 -1.614202 0.040293
C 2.983272 1.738830 -0.330670
C -2.952937 -0.567163 -0.372206
C -1.634053 2.153854 -0.441563
C 1.711548 -0.652965 -1.792378
C -3.077469 1.958233 -0.962839
C -3.758282 0.733661 -0.379863
C -3.653743 -1.669659 0.466593
C 2.890231 0.346234 1.775407
C 2.160015 -2.103741 -2.087058
C -5.177074 -1.735272 0.229505
C -5.051916 0.801594 0.072769
C -5.841734 -0.380731 0.471118
C 5.319973 -0.234475 0.121747
C 2.896620 0.391630 3.006248
C 6.262469 -1.342585 -0.301905
H 0.564339 1.208969 0.974775
H -0.793237 0.631766 -1.716775
H -1.547008 -0.027193 1.194880
H 0.827137 -1.131576 1.591155
H 1.400714 -2.347659 0.432977
H 1.262672 3.142870 -0.296656
H 1.399863 2.211650 -1.807974
H -0.635384 -1.988832 -1.004499
H -1.079842 -2.406920 0.662438
H 3.636431 1.692202 -1.219814
H 3.454737 2.434871 0.378208
H -2.881497 -0.915631 -1.430429
H -1.161897 2.997127 -0.980441
H -1.655684 2.425970 0.633670
H 2.446517 0.034382 -2.249992
H 0.759882 -0.475560 -2.327901
H -3.025570 1.829394 -2.066587
H -3.691153 2.858775 -0.778229
H -3.464320 -1.467185 1.540645
H -3.208230 -2.655216 0.241758
H 2.348681 -2.224237 -3.170541
H 3.087210 -2.352218 -1.546558
H 1.387889 -2.842613 -1.806028
H -5.660088 -2.490008 0.874536
H -5.384053 -2.026861 -0.821806
H -5.583669 1.761831 0.099105
H 2.923692 0.446515 4.078909
H 5.946561 -1.782689 -1.261663
H 6.245824 -2.146629 0.456212
H 7.286598 -0.948586 -0.377960


