%chk=000112651.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000112651

0 1
 O   -1.448600      0.6232000      0.5373000    
 O   -2.261700      -1.596000      0.1729000    
 C    1.859200     -0.5409000     -0.1098000    
 C   -1.123700     -0.7204000      0.1472000    
 C    3.156000      0.2657000     -7.7000000E-02
 C   0.9225000     -1.7899999E-02  -1.205300    
 C    1.169300     -0.5148000       1.259000    
 C  -0.4062000     -0.7739000      -1.216700    
 C  -0.1665000      -1.257300       1.228300    
 C    3.838800      0.1815000      -1.447300    
 C    2.833800       1.728800      0.2501000    
 C    4.083700     -0.3116000      0.9987000    
 C   -2.523700       1.199200     -0.2058000    
 C   -3.366200      -1.116900     -0.5883000    
 C   -3.743800      0.2846000     -0.1359000    
 C   -2.822700       2.566900      0.3925000    
 H    2.092700      -1.589700     -0.3446000    
 H    1.366700     -0.1404000      -2.198200    
 H   0.6870000       1.042700      -1.084500    
 H   0.9650000      0.5012000       1.606300    
 H    1.785800     -0.9989000       2.023300    
 H   -1.031500     -0.3570000      -2.013000    
 H  -0.2349000      -1.821600      -1.496900    
 H   1.0700000E-02  -2.329400       1.069200    
 H  -0.6414000      -1.172800       2.214700    
 H    3.311100      0.7487000      -2.220500    
 H    4.850100      0.6034000      -1.400900    
 H    3.937000     -0.8565000      -1.784700    
 H    2.388700       1.877600       1.236700    
 H    2.211000       2.225900     -0.4974000    
 H    3.769700       2.304000      0.2699000    
 H    4.206300      -1.394600      0.8851000    
 H    5.082400      0.1361000      0.9278000    
 H    3.733500     -0.1076000       2.015600    
 H   -2.210600       1.342100      -1.245900    
 H   -4.567300      0.6771000     -0.7413000    
 H   -4.085600      0.2253000      0.9054000    
 H   -4.205200      -1.801300     -0.4268000    
 H   -3.126400      -1.145400      -1.656300    
 H   -1.934100       3.205700      0.3437000    
 H   -3.639700       3.063900     -0.1394000    
 H   -3.090700       2.483400       1.451600    


%chk=000112651-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000112651

0 1
O -1.559152 0.627674 0.568020
O -2.284915 -1.659181 0.164426
C 1.857731 -0.444203 -0.088173
C -1.139577 -0.728226 0.151899
C 3.263350 0.273234 -0.078159
C 0.886108 0.096071 -1.174286
C 1.128690 -0.425320 1.284792
C -0.433196 -0.710863 -1.224995
C -0.193125 -1.225018 1.249509
C 3.953953 0.093262 -1.460255
C 3.144195 1.791252 0.228002
C 4.180805 -0.383437 0.992489
C -2.695528 1.191432 -0.205747
C -3.437722 -1.183062 -0.624670
C -3.884970 0.209682 -0.143815
C -2.987486 2.556186 0.419329
H 2.064395 -1.512404 -0.335804
H 1.357129 0.062935 -2.173864
H 0.644106 1.154484 -0.957066
H 0.902178 0.618884 1.572463
H 1.773440 -0.852470 2.073948
H -1.092926 -0.298953 -2.011172
H -0.226188 -1.764023 -1.498105
H 0.006937 -2.296195 1.056616
H -0.724595 -1.151528 2.214556
H 3.421652 0.631802 -2.264696
H 4.987274 0.487163 -1.426433
H 4.007918 -0.976401 -1.741024
H 2.679431 1.973666 1.213876
H 2.541696 2.316537 -0.535403
H 4.147953 2.257314 0.239015
H 4.237364 -1.480075 0.850293
H 5.207950 0.021091 0.916475
H 3.824639 -0.189602 2.019838
H -2.385327 1.323288 -1.267153
H -4.717814 0.579709 -0.773985
H -4.240905 0.143393 0.901048
H -4.218701 -1.944105 -0.464364
H -3.186513 -1.159388 -1.707015
H -2.097090 3.206098 0.363144
H -3.822188 3.054086 -0.107390
H -3.260476 2.437312 1.482634


