%chk=000178259.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000178259

0 1
 O   -3.961700     -0.8971000     -0.4185000    
 O  -6.0000003E-04  0.7287000      0.7011000    
 O    1.098200       2.689000       1.200100    
 O    5.760100      -1.322200     -0.4105000    
 C   -2.435000      0.3197000       1.052600    
 C   -2.572400     -0.5861000     -0.2247000    
 C   -1.827300      -1.889200      0.1603000    
 C   -2.180800     -0.7016000       2.214600    
 C   -2.247400      -2.097000       1.609600    
 C   -2.031900     -5.5999998E-03  -1.541300    
 C   -1.254800       1.342500      0.9925000    
 C   -2.131500      -3.117000     -0.6912000    
 C   -3.742900       1.078600       1.395700    
 C   -2.575800       1.376100      -1.907700    
 C   -1.402200       2.506100      4.9300000E-02
 C   -1.999200       2.551100      -1.155400    
 C   -1.735300      -2.875300      -2.146700    
 C   -1.414000      -4.347600     -0.1386000    
 C   -2.117100       3.866200      -1.883700    
 C    1.095500       1.519900      0.8472000    
 C    2.331100      0.7670000      0.5140000    
 C    3.410400       1.452600     -4.6999999E-03
 C    2.361800     -0.5950000      0.7333000    
 C    4.571200      0.7452000     -0.3179000    
 C    3.522600      -1.302300      0.4201000    
 C    4.627200     -0.6321000     -0.1055000    
 C    6.852000     -0.5746000     -0.9437000    
 H  -0.7444000      -1.705200      0.1428000    
 H   -2.897900     -0.6063000       3.037500    
 H   -1.186700     -0.5529000       2.653900    
 H   -1.588000      -2.780300       2.153600    
 H   -3.270500      -2.486100       1.678900    
 H   -2.361700     -0.5980000      -2.390100    
 H  -0.9365000      8.8999998E-03  -1.561400    
 H   -1.182500       1.769800       2.004700    
 H   -3.204300      -3.346800     -0.6667000    
 H   -3.601300       1.723500       2.271000    
 H   -4.089400       1.708000      0.5717000    
 H   -4.557800      0.3873000       1.640400    
 H   -3.669300       1.396200      -1.829700    
 H   -2.346200       1.526200      -2.972100    
 H   -4.063600      -1.368700      -1.261400    
 H   -1.050200       3.456200      0.4510000    
 H   -1.522800      -3.832100      -2.641100    
 H  -0.8260000      -2.277100      -2.253400    
 H   -2.564800      -2.462700      -2.725100    
 H  -0.3340000      -4.180000     -6.4800002E-02
 H   -1.787700      -4.628000      0.8508000    
 H   -1.573500      -5.215200     -0.7887000    
 H   -3.168400       4.084100      -2.099100    
 H   -1.568000       3.827400      -2.830300    
 H   -1.718300       4.705600      -1.304400    
 H    3.376300       2.524200     -0.1775000    
 H    1.522000      -1.137700       1.156300    
 H    5.391400       1.327700     -0.7235000    
 H    3.561600      -2.374800      0.5909000    
 H    7.668100      -1.281000      -1.127600    
 H    7.223900      0.1631000     -0.2246000    
 H    6.597300     -0.1224000      -1.908200    


%chk=000178259-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000178259

0 1
O -4.043144 -0.830375 -0.291436
O 0.026782 0.847579 0.415427
O 1.176851 2.519824 1.575022
O 5.956240 -1.154307 -0.870694
C -2.352478 0.390842 1.025199
C -2.571878 -0.575804 -0.225910
C -1.847107 -1.923536 0.160183
C -1.845419 -0.543766 2.182008
C -2.054896 -1.989928 1.696803
C -2.124252 0.033048 -1.576681
C -1.293835 1.513689 0.813070
C -2.309024 -3.242567 -0.538215
C -3.666554 1.093942 1.464603
C -2.820457 1.362524 -1.951093
C -1.582843 2.658915 -0.131863
C -2.251188 2.622986 -1.319081
C -2.210018 -3.254494 -2.086623
C -1.496308 -4.445347 0.013506
C -2.481031 3.897828 -2.111688
C 1.189489 1.480478 0.863008
C 2.422600 0.783683 0.405070
C 3.676152 1.308456 0.806354
C 2.390084 -0.378750 -0.414608
C 4.880511 0.697817 0.407018
C 3.582030 -0.996885 -0.820683
C 4.832238 -0.461532 -0.411076
C 7.278106 -0.648733 -0.484736
H -0.765019 -1.776032 -0.047337
H -2.380033 -0.332775 3.125638
H -0.769175 -0.372135 2.364218
H -1.365274 -2.693662 2.193377
H -3.091020 -2.325241 1.899531
H -2.343777 -0.697106 -2.375969
H -1.029396 0.176793 -1.568435
H -1.095609 1.955272 1.808569
H -3.371398 -3.410453 -0.257337
H -3.460919 1.762074 2.323093
H -4.110914 1.696297 0.656872
H -4.410822 0.343113 1.772317
H -3.901048 1.278532 -1.704928
H -2.776728 1.489263 -3.051971
H -4.198370 -1.456486 -1.044265
H -1.184622 3.623860 0.209226
H -2.380985 -4.278953 -2.466948
H -1.207510 -2.932556 -2.427038
H -2.955902 -2.602892 -2.577950
H -0.413760 -4.305545 -0.174411
H -1.637764 -4.579122 1.099143
H -1.806470 -5.383527 -0.483279
H -3.559926 4.044019 -2.319108
H -1.975316 3.847701 -3.096686
H -2.109645 4.789427 -1.578576
H 3.686063 2.203966 1.436607
H 1.424224 -0.784751 -0.727436
H 5.834750 1.123152 0.730686
H 3.578529 -1.890503 -1.451801
H 7.995128 -1.339409 -0.951349
H 7.406829 -0.661715 0.614595
H 7.442224 0.376708 -0.867834


