%chk=000158847.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000158847

0 1
 O  -0.3699000       1.726100      -1.090200    
 O    3.986700      4.6900000E-02  0.7870000    
 O   -3.050400      0.7176000     -6.3600004E-02
 O   -1.793900       3.441600     -0.5833000    
 O    6.027300      -1.001300       1.058700    
 O   -3.469000     -0.5909000       1.784000    
 C    1.780900     -0.9544000      0.4408000    
 C    1.406300      0.1487000     -0.6024000    
 C  -0.8195000      0.2932000      0.7262000    
 C  -0.1264000      0.3752000     -0.6406000    
 C    1.320200     -0.4980000       1.858100    
 C   0.1824000      0.5332000       1.858300    
 C    3.322400      -1.165400      0.4163000    
 C   -1.942600       1.321600      0.6000000    
 C    2.057800     -8.8600002E-02  -1.967800    
 C    1.103700      -2.316400      0.1180000    
 C    3.828000      -1.588700     -0.9692000    
 C   -1.387100       2.306000     -0.3912000    
 C    3.141500     -0.8775000      -2.100500    
 C   -2.412500       1.969600       1.891500    
 C    1.514600      0.6394000      -3.166500    
 C    5.349300     -1.3400000E-02  0.8107000    
 C   -3.732800     -0.2301000      0.6459000    
 C    5.917900       1.333700      0.4818000    
 C   -4.855100     -0.7720000     -0.1790000    
 C   -5.519800      0.1424000      -1.165000    
 C   -5.197100      -2.051000      6.2700003E-02
 C   -6.262900      -2.847700     -0.6207000    
 H    1.852800       1.098400     -0.2657000    
 H   -1.213000     -0.7182000      0.8577000    
 H  -0.6118000     -0.3023000      -1.354100    
 H    2.151400     -6.5099999E-02   2.427300    
 H    1.003600      -1.373200       2.440800    
 H  -0.3156000      0.4930000       2.833600    
 H   0.6117000       1.539800       1.771800    
 H    3.592600      -1.931900       1.155400    
 H    1.495400      -3.104500      0.7722000    
 H   2.2100000E-02  -2.298800      0.2645000    
 H    1.271500      -2.636600     -0.9145000    
 H    3.647600      -2.662700      -1.103700    
 H    4.904400      -1.449500      -1.100800    
 H    3.584200      -1.020600      -3.083500    
 H   -1.702600       2.736700       2.223300    
 H   -3.380000       2.466900       1.753000    
 H   -2.524200       1.271400       2.724900    
 H    2.114700      0.4605000      -4.065400    
 H    1.516100       1.719500      -2.988600    
 H   0.4942000      0.3152000      -3.391000    
 H    5.593800       2.064700       1.226700    
 H    5.598600       1.635600     -0.5189000    
 H    7.010200       1.280100      0.4975000    
 H   -6.519200     -0.1959000      -1.450300    
 H   -5.642700       1.142600     -0.7349000    
 H   -4.913300      0.2291000      -2.072100    
 H   -4.650200      -2.614000      0.8178000    
 H   -5.838700      -3.790600     -0.9807000    
 H   -6.702900      -2.339800      -1.481500    
 H   -7.062400      -3.083300      8.8200003E-02


%chk=000158847-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000158847

0 1
O -0.398279 1.684614 -1.157868
O 4.026068 0.196922 0.474840
O -3.040140 0.612338 -0.001690
O -1.809828 3.422256 -0.545695
O 6.017583 -0.813167 1.156234
O -3.367234 -0.949324 1.717120
C 1.895199 -0.988633 0.306559
C 1.440923 0.091700 -0.737393
C -0.688922 0.226072 0.764891
C -0.090306 0.281733 -0.673425
C 1.518530 -0.528269 1.760367
C 0.403390 0.550128 1.804764
C 3.432214 -1.155653 0.185187
C -1.856848 1.243179 0.707624
C 1.990309 -0.171539 -2.146866
C 1.255984 -2.376453 0.005425
C 3.877330 -1.612162 -1.214638
C -1.399083 2.265591 -0.371494
C 3.106510 -0.931480 -2.326460
C -2.311828 1.932372 1.992596
C 1.319485 0.517890 -3.321168
C 5.343713 0.221224 0.945652
C -3.725459 -0.450567 0.618202
C 5.802787 1.648967 1.149218
C -4.896996 -0.871413 -0.215084
C -5.170986 -0.121459 -1.502242
C -5.632884 -1.915338 0.280933
C -6.855003 -2.550989 -0.323392
H 1.877001 1.056353 -0.400467
H -1.092344 -0.774252 0.986293
H -0.629151 -0.397262 -1.357603
H 2.413927 -0.127253 2.268123
H 1.187506 -1.413769 2.336661
H -0.033945 0.582021 2.818664
H 0.833903 1.551897 1.607319
H 3.816433 -1.851249 0.955620
H 1.714912 -3.156470 0.642015
H 0.174904 -2.376135 0.227269
H 1.385930 -2.668559 -1.050534
H 3.758385 -2.714142 -1.283865
H 4.963931 -1.433858 -1.322033
H 3.495694 -1.069364 -3.344902
H -1.483453 2.520896 2.423064
H -3.126534 2.635940 1.752281
H -2.658035 1.198031 2.735213
H 1.851218 0.295030 -4.262550
H 1.296174 1.613614 -3.176688
H 0.263848 0.208974 -3.443453
H 5.114936 2.180773 1.828967
H 5.792339 2.188553 0.186066
H 6.819831 1.656069 1.566469
H -6.067818 -0.505500 -2.014051
H -5.314323 0.956081 -1.307202
H -4.314672 -0.197527 -2.196181
H -5.289546 -2.338716 1.236866
H -6.679818 -3.631297 -0.495630
H -7.160528 -2.095659 -1.278695
H -7.708633 -2.485460 0.379764


