%chk=000104329.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000104329

0 1
 O    3.937400       1.340600      0.3531000    
 O   -2.124100     -0.2737000      0.5447000    
 O    4.153900     -0.8394000     -0.4652000    
 O   -2.354500       1.527800     -0.9179000    
 C    8.478300     -0.4643000      2.7700000E-02
 C    6.992500     -0.7212000     -0.2420000    
 C    9.326200      -1.683200     -0.3369000    
 C    6.115200      0.4691000      0.1448000    
 C   -7.735400      -1.060900      0.1738000    
 C    10.79690      -1.450500     -2.9800000E-02
 C   -6.261800     -0.8547000      0.2710000    
 C   -8.407100     -3.2800000E-02 -0.7473000    
 C    4.637400      0.2056000     -5.0900001E-02
 C   -5.738500     -2.1400001E-02   1.259600    
 C   -5.406700      -1.494500     -0.6264000    
 C   -9.904000     -0.2701000     -0.8687000    
 C   -3.505100     -0.4679000      0.4537000    
 C   -4.360100      0.1720000       1.351000    
 C   -4.028400      -1.301100     -0.5352000    
 C    2.554200       1.204500      0.2134000    
 C  -0.2087000      0.9364000     -6.3699998E-02
 C    1.933400       1.578800     -0.9783000    
 C    1.793700      0.6963000       1.266500    
 C   0.5519000       1.444800      -1.116800    
 C   0.4123000      0.5623000       1.128000    
 C   -1.649100      0.7975000     -0.2082000    
 H    8.811900      0.4056000     -0.5508000    
 H    8.620000     -0.2219000       1.088000    
 H    6.844800     -0.9533000      -1.304200    
 H    6.668900      -1.607700      0.3181000    
 H    8.978700      -2.559900      0.2220000    
 H    9.211100      -1.911100      -1.402900    
 H    6.389700       1.338300     -0.4633000    
 H    6.275500      0.7112000       1.201800    
 H   -7.942500      -2.075900     -0.1900000    
 H   -8.184200      -1.011200       1.174500    
 H    10.94910      -1.254000       1.036300    
 H    11.38480      -2.333400     -0.2997000    
 H    11.18540     -0.5977000     -0.5956000    
 H   -7.957400     -7.5000003E-02  -1.747000    
 H   -8.233900      0.9808000     -0.3657000    
 H   -6.394100      0.4843000       1.963600    
 H   -5.802100      -2.144600      -1.402300    
 H   -10.35450      0.4774000      -1.529200    
 H   -10.39190     -0.1989000      0.1086000    
 H   -10.11090      -1.261000      -1.285200    
 H   -3.958000      0.8223000       2.123100    
 H   -3.367100      -1.801900      -1.236900    
 H    2.520700       1.975500      -1.801800    
 H    2.271800      0.4068000       2.198400    
 H   8.4299996E-02   1.738600      -2.053000    
 H  -0.1554000      0.1761000       1.970400    


%chk=000104329-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000104329

0 1
O 4.017180 0.854342 0.178702
O -2.377984 0.226744 0.314558
O 4.399539 -1.462391 -0.070167
O -2.202099 2.560113 0.598825
C 8.743262 -0.546824 -0.169733
C 7.275691 -1.027865 -0.162321
C 9.754063 -1.701413 -0.354769
C 6.286852 0.139499 0.019064
C -8.070036 -0.789579 0.292337
C 11.220807 -1.220121 -0.365112
C -6.580439 -0.488142 0.340067
C -8.667572 -0.633477 -1.135781
C 4.834527 -0.299562 0.030473
C -6.106946 0.836441 0.513153
C -5.618972 -1.518532 0.167295
C -10.180185 -0.936341 -1.175278
C -3.801194 0.097646 0.335987
C -4.729158 1.150861 0.514036
C -4.239413 -1.234505 0.164232
C 2.594642 0.859150 0.232635
C -0.201195 1.194161 0.367372
C 2.051180 2.155379 0.404087
C 1.757404 -0.279475 0.127918
C 0.659431 2.320304 0.471470
C 0.361068 -0.096145 0.196605
C -1.668396 1.435677 0.443186
H 8.887554 0.196172 -0.982317
H 8.966608 -0.016395 0.779895
H 7.049764 -1.559179 -1.106864
H 7.125993 -1.767103 0.647920
H 9.612500 -2.443469 0.457204
H 9.530755 -2.232492 -1.302401
H 6.407988 0.892936 -0.784285
H 6.484506 0.684187 0.963732
H -8.261471 -1.822846 0.642885
H -8.618722 -0.113174 0.977278
H 11.479539 -0.713343 0.583789
H 11.921643 -2.064450 -0.498335
H 11.397573 -0.501649 -1.187783
H -8.127793 -1.308568 -1.828752
H -8.477827 0.397043 -1.494958
H -6.829286 1.649563 0.656363
H -5.954095 -2.554729 0.038457
H -10.586073 -0.823131 -2.197028
H -10.740300 -0.251496 -0.510709
H -10.387203 -1.970765 -0.841247
H -4.385142 2.176052 0.650602
H -3.494447 -2.025641 0.035364
H 2.732242 3.007609 0.480761
H 2.185750 -1.272970 -0.002104
H 0.215303 3.311799 0.603541
H -0.302915 -0.960510 0.117352


