%chk=000166927.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000166927

0 1
 O   -2.103200     -0.4405000       1.592000    
 O    2.267700      3.9000001E-02  0.5035000    
 O   0.2433000       1.928800     -5.4299999E-02
 O    4.305400     -0.9763000      0.8962000    
 O  -0.9327000       3.565300      -1.183900    
 C   8.1299998E-02  -1.111300      0.4739000    
 C   3.5599999E-02  -1.167600      -1.111300    
 C  -0.7568000      4.7800001E-02   1.201200    
 C   -2.401400     -0.4437000     -0.8683000    
 C   -1.398700      -1.255900      -1.759300    
 C    1.060600      -2.260800      -1.469400    
 C    1.598400      -1.195900      0.7119000    
 C  -0.9729000       1.314000      0.3458000    
 C   -3.117900     -0.5304000      0.5301000    
 C   -1.804600      0.9961000     -0.9052000    
 C    2.088400      -2.234000     -0.3100000    
 C  -0.1224000      0.4008000       2.556200    
 C   0.4824000      -3.661700      -1.650600    
 C   -3.986000      0.7236000      0.6982000    
 C   -3.987300      -1.764700      0.7827000    
 C    3.630100      7.7999998E-03  0.6267000    
 C   0.1185000       3.054800     -0.8215000    
 C    4.197300       1.373100      0.3810000    
 C    1.474800       3.591600      -1.165800    
 H  -0.3559000      -2.057600      0.8281000    
 H   0.4796000     -0.2318000      -1.478800    
 H   -3.264500     -0.4191000      -1.555600    
 H   -1.754900      -2.290000      -1.774000    
 H   -1.369400     -0.8986000      -2.795100    
 H    1.561800      -1.985700      -2.406200    
 H    1.804100      -1.533300       1.735000    
 H   -1.499100       2.054100      0.9602000    
 H   -1.229900       1.136800      -1.830500    
 H   -2.606900       1.735400      -1.024400    
 H    2.135600      -3.216600      0.1755000    
 H    3.073400      -2.042900     -0.7421000    
 H  -2.7000001E-03 -0.4963000       3.174400    
 H   0.8498000      0.8893000       2.452100    
 H  -0.7742000       1.076200       3.123600    
 H    1.284800      -4.393100      -1.796300    
 H  -0.1038000      -3.972900     -0.7798000    
 H  -0.1609000      -3.709500      -2.534900    
 H   -4.639700      0.8887000     -0.1658000    
 H   -4.654800      0.5831000       1.559100    
 H   -3.469100       1.649500      0.9476000    
 H   -4.811100      -1.828400      6.5099999E-02
 H   -3.380400      -2.672400      0.6925000    
 H   -4.396700      -1.764100       1.798800    
 H    3.712900       2.100600       1.037500    
 H    4.058300       1.646200     -0.6675000    
 H    5.267500       1.366900      0.6063000    
 H    2.019300       2.858800      -1.766100    
 H    2.023600       3.827000     -0.2507000    
 H    1.364000       4.509600      -1.750000    


%chk=000166927-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000166927

0 1
O -2.044124 -0.244478 1.483409
O 2.352846 -0.098010 0.213042
O 0.304351 2.123376 -0.225782
O 4.147444 -0.759210 1.555255
O -0.877050 4.136324 -0.355054
C 0.062519 -1.032376 0.446951
C -0.058370 -1.233015 -1.085236
C -0.673507 0.202679 1.064818
C -2.479304 -0.281259 -1.031527
C -1.513052 -1.375125 -1.578446
C 0.917284 -2.430061 -1.408071
C 1.563297 -1.274136 0.711449
C -0.969374 1.434565 0.159042
C -3.060204 -0.526879 0.402886
C -1.814710 1.122702 -1.103679
C 1.877406 -2.504524 -0.168027
C -0.026823 0.646794 2.384743
C 0.241654 -3.796237 -1.663252
C -4.235212 0.442337 0.681861
C -3.536377 -1.976536 0.637853
C 3.653802 0.020984 0.706601
C 0.199452 3.501766 -0.445560
C 4.367412 1.189054 0.059095
C 1.552657 4.092930 -0.781128
H -0.425956 -1.894049 0.952638
H 0.383099 -0.329692 -1.549521
H -3.363325 -0.275693 -1.701099
H -1.909601 -2.375670 -1.333908
H -1.519208 -1.305722 -2.685351
H 1.502277 -2.171505 -2.311494
H 1.825022 -1.425718 1.771633
H -1.528652 2.142993 0.798247
H -1.164288 1.167137 -1.996061
H -2.570015 1.916776 -1.228264
H 1.667675 -3.419095 0.419914
H 2.945147 -2.540045 -0.442288
H 0.050056 -0.207313 3.079796
H 0.980088 1.055827 2.201076
H -0.647858 1.420936 2.867152
H 1.010683 -4.574949 -1.824474
H -0.373145 -4.113530 -0.798665
H -0.408622 -3.779326 -2.556675
H -5.106057 0.201615 0.043588
H -4.540095 0.348419 1.738282
H -3.952094 1.493710 0.505689
H -4.270937 -2.284091 -0.130324
H -2.695641 -2.689500 0.626794
H -4.018218 -2.046877 1.628612
H 3.656574 1.988526 -0.196983
H 4.851534 0.848905 -0.875134
H 5.151776 1.564118 0.734110
H 2.072713 3.470070 -1.527617
H 2.180565 4.124981 0.127976
H 1.425087 5.116900 -1.161093


