%chk=000034453.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000034453

0 1
 O    5.532700      4.4100001E-02 -0.2537000    
 O    4.285400     -0.5388000       1.596200    
 O    8.082400      0.9717000     -0.8490000    
 C   -3.246300     -7.3899999E-02 -0.2277000    
 C   -2.206100      -1.159900      5.6000002E-02
 C   -4.656000     -0.5505000      0.1294000    
 C  -0.7922000     -0.6747000     -0.2696000    
 C   -5.735400      0.5099000     -0.1060000    
 C   0.2441000      -1.772400     -1.6899999E-02
 C   -7.152900      1.0200000E-02  0.1811000    
 C    1.652700      -1.296900     -0.3742000    
 C   -8.194600       1.084600     -0.1393000    
 C    2.750900      -2.336600     -0.1180000    
 C   -9.609200      0.5998000      0.1771000    
 C    4.164800      -1.853600     -0.4445000    
 C   -10.64410       1.676300     -0.1082000    
 C    4.635000     -0.7183000      0.4376000    
 C    6.095100       1.142300      0.4714000    
 C    7.068800       1.885900     -0.4337000    
 C    7.724700       3.050800      0.2921000    
 H   -3.210500      0.2057000      -1.287500    
 H   -3.007900      0.8253000      0.3529000    
 H   -2.436500      -2.051500     -0.5397000    
 H   -2.257600      -1.453800       1.111400    
 H   -4.681900     -0.8561000       1.182800    
 H   -4.893600      -1.442000     -0.4644000    
 H  -0.5547000      0.2047000      0.3412000    
 H  -0.7455000     -0.3616000      -1.319800    
 H   -5.523500       1.384600      0.5212000    
 H   -5.678300      0.8474000      -1.148600    
 H  -2.2000000E-03  -2.660000     -0.6119000    
 H   0.2144000      -2.070900       1.037900    
 H   -7.355200     -0.8859000     -0.4179000    
 H   -7.229800     -0.2807000       1.235600    
 H    1.678300      -1.010300      -1.433100    
 H    1.871900     -0.3887000      0.2000000    
 H   -7.978400       1.988900      0.4427000    
 H   -8.127900       1.359000      -1.199200    
 H    2.539800      -3.228500     -0.7206000    
 H    2.707400      -2.649600      0.9326000    
 H   -9.676300      0.3091000       1.232000    
 H   -9.839900     -0.2901000     -0.4200000    
 H    4.876100      -2.678300     -0.3257000    
 H    4.193000      -1.529400      -1.491600    
 H   -10.46060       2.568100      0.4996000    
 H   -10.62480       1.969100      -1.162800    
 H   -11.64820       1.307800      0.1237000    
 H    5.293200       1.812900      0.8009000    
 H    6.623400      0.7428000       1.345700    
 H    6.551800       2.231400      -1.335700    
 H    8.300100       2.701800       1.156500    
 H    8.431600       3.564400     -0.3685000    
 H    6.979900       3.775600      0.6342000    
 H    8.688100       1.453600      -1.437700    


%chk=000034453-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000034453

0 1
O 5.746667 0.144068 -0.326033
O 4.273162 -0.211905 1.441409
O 8.660178 0.529278 0.019421
C -3.414229 -0.060554 -0.290868
C -2.293361 -1.085047 -0.004256
C -4.822152 -0.567798 0.094451
C -0.885745 -0.577722 -0.390488
C -5.942181 0.459389 -0.186015
C 0.235153 -1.600578 -0.098644
C -7.350202 -0.047398 0.200096
C 1.641852 -1.091244 -0.483725
C -8.469630 0.982283 -0.073783
C 2.753476 -2.122696 -0.186566
C -9.877596 0.474778 0.313333
C 4.163697 -1.641629 -0.586060
C -10.989260 1.511284 0.040776
C 4.685566 -0.519072 0.298838
C 6.413411 1.208272 0.471781
C 7.688410 1.604844 -0.264838
C 8.216825 2.970229 0.217014
H -3.402543 0.203318 -1.369347
H -3.199962 0.879126 0.260394
H -2.507891 -2.025704 -0.553966
H -2.304115 -1.347111 1.074504
H -4.832355 -0.835195 1.171995
H -5.038307 -1.505556 -0.459479
H -0.672105 0.363519 0.157928
H -0.873721 -0.317776 -1.469979
H -5.725653 1.396762 0.368351
H -5.932157 0.727441 -1.263451
H 0.021563 -2.543648 -0.645075
H 0.224599 -1.856854 0.981179
H -7.568790 -0.982598 -0.357248
H -7.358631 -0.319260 1.276601
H 1.655262 -0.833776 -1.564052
H 1.855576 -0.156664 0.071795
H -8.252463 1.917577 0.483934
H -8.463107 1.254943 -1.150130
H 2.535315 -3.064395 -0.728680
H 2.748241 -2.361341 0.894308
H -9.882113 0.199543 1.387959
H -10.094910 -0.458051 -0.246384
H 4.893286 -2.473099 -0.508556
H 4.196943 -1.304839 -1.638707
H -10.813138 2.440867 0.614578
H -11.023739 1.781961 -1.031603
H -11.985294 1.123175 0.323488
H 5.718794 2.062424 0.567277
H 6.649279 0.821039 1.478388
H 7.470589 1.645193 -1.353506
H 8.407807 2.950051 1.304934
H 9.166186 3.221948 -0.290748
H 7.494957 3.779345 -0.000164
H 9.474056 0.673651 -0.526084


