%chk=000159330.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000159330

0 1
 O   -4.703800      0.7280000       1.643500    
 O   -5.427700     -0.7563000     -0.9123000    
 O   0.9444000       2.913700     -0.1454000    
 O    3.071200      -2.155700     -0.1573000    
 C   -1.738400     -0.6345000      8.0399998E-02
 C   -1.014500      0.6852000     -0.3833000    
 C   -3.303500     -0.6045000      0.1702000    
 C   -1.558200       1.838200      0.5025000    
 C   -1.182000      -1.834100     -0.7054000    
 C   0.5141000      0.5041000     -0.2148000    
 C   -3.072000       1.976100      0.4548000    
 C   -3.754000      0.6936000      0.8582000    
 C   0.2932000      -2.044200     -0.3786000    
 C   -1.211200       1.048200      -1.874600    
 C    1.102800     -0.7786000     -0.2602000    
 C   -4.039700     -0.7172000      -1.172600    
 C   -3.782600      -1.787400       1.053000    
 C    1.367800       1.618700     -8.6800002E-02
 C    2.498500     -0.9140000     -0.1410000    
 C    3.317500      0.2021000      5.0000002E-04
 C    2.751700       1.469100      2.4499999E-02
 C    4.798500      5.9700001E-02  0.1213000    
 C    5.341500      0.5770000       1.465800    
 C    5.560600      0.7217000      -1.041000    
 C    3.225900      -2.808800       1.098400    
 H   -1.411900     -0.7815000       1.124900    
 H   -1.187700       2.816400      0.1924000    
 H   -1.240900       1.686900       1.543200    
 H   -1.310600      -1.689700      -1.783100    
 H   -1.712200      -2.760700     -0.4648000    
 H   -3.430000       2.267300     -0.5368000    
 H   -3.380100       2.763700       1.152500    
 H   0.7235000      -2.698300      -1.146700    
 H   0.3510000      -2.575400      0.5795000    
 H  -0.6613000       1.961400      -2.134800    
 H  -0.8400000      0.2692000      -2.548100    
 H   -2.247900       1.248500      -2.137200    
 H   -3.765500      -1.630800      -1.709200    
 H   -3.867600      0.1363000      -1.825200    
 H   -3.259400      -1.793500       2.016700    
 H   -4.852600      -1.736300       1.286300    
 H   -3.610000      -2.754800      0.5715000    
 H    3.387400       2.346700      0.1160000    
 H   -5.880200     -0.8400000      -1.768900    
 H    5.085400     -0.9962000      7.2999999E-02
 H    1.694600       3.523400     -4.3900002E-02
 H    6.412900      0.3671000       1.554700    
 H    5.204300       1.658200       1.573800    
 H    4.832800      8.8799998E-02   2.304400    
 H    5.208500      0.3383000      -2.005200    
 H    5.434400       1.809700      -1.046400    
 H    6.633400      0.5121000     -0.9675000    
 H    3.278600      -3.886300      0.9185000    
 H    2.386800      -2.609900       1.773000    
 H    4.157300      -2.493300       1.576800    


%chk=000159330-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000159330

0 1
O -4.470862 0.423439 2.033840
O -5.481376 -0.588080 -1.023408
O 0.851770 2.920190 -0.432654
O 3.055349 -2.235024 0.039854
C -1.757426 -0.649139 0.026849
C -1.050193 0.707544 -0.370107
C -3.338897 -0.659603 0.128760
C -1.570073 1.790403 0.633748
C -1.153590 -1.822521 -0.775037
C 0.489080 0.507817 -0.226075
C -3.121096 1.890858 0.648205
C -3.744999 0.551822 1.013890
C 0.274575 -2.067260 -0.258556
C -1.293153 1.184141 -1.839838
C 1.089280 -0.784006 -0.143354
C -4.027306 -0.555150 -1.256372
C -3.822658 -1.961146 0.818641
C 1.386108 1.619487 -0.244182
C 2.501481 -0.917650 -0.000758
C 3.375795 0.194198 0.007974
C 2.780914 1.468568 -0.122957
C 4.893074 0.033244 0.112568
C 5.452463 0.697924 1.398761
C 5.608719 0.584621 -1.149546
C 3.174034 -2.796634 1.397237
H -1.442240 -0.816999 1.082859
H -1.144467 2.774112 0.385560
H -1.218316 1.532104 1.652826
H -1.134264 -1.597079 -1.858109
H -1.746112 -2.744520 -0.646930
H -3.484773 2.220362 -0.344824
H -3.451397 2.640419 1.387781
H 0.827379 -2.775244 -0.902325
H 0.206175 -2.556058 0.736134
H -0.554649 1.960505 -2.098035
H -1.182901 0.356371 -2.562331
H -2.290615 1.634675 -1.979378
H -3.709348 -1.419273 -1.878359
H -3.752312 0.376771 -1.780978
H -3.273692 -2.134330 1.761598
H -4.891686 -1.872833 1.061867
H -3.689181 -2.838716 0.161658
H 3.420435 2.362272 -0.143729
H -5.953878 -0.557893 -1.892332
H 5.101106 -1.051261 0.160087
H 1.583933 3.585553 -0.440655
H 6.541473 0.524245 1.481884
H 5.285676 1.791655 1.389854
H 4.967568 0.293443 2.306177
H 5.232678 0.092851 -2.064151
H 5.452775 1.674399 -1.259693
H 6.698155 0.406117 -1.083256
H 3.600287 -3.804225 1.270746
H 2.186274 -2.868097 1.893097
H 3.848004 -2.179966 2.024673


