%chk=000178942.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000178942

0 1
 O   -2.832700     -0.3824000       1.772200    
 O   0.3217000       1.344200      -2.042700    
 O   -5.237800     -0.8890000      0.6870000    
 O   -4.114700       1.602300       1.115900    
 O   -4.469000       1.799000      -1.154500    
 O    6.212400       1.037300       1.735000    
 C   -1.603000     -0.4448000     -0.3721000    
 C  -0.5719000      -1.415900      0.2439000    
 C   0.8275000      -1.300000     -0.3778000    
 C    1.360200      0.1588000     -0.1488000    
 C   -2.873100     -0.8746000      0.4261000    
 C   -1.100400      0.9902000     -0.1110000    
 C   -1.287900      -2.764400      0.2120000    
 C   0.3358000       1.237000     -0.6265000    
 C   -2.774500      -2.421600      0.4501000    
 C    2.845000      0.3382000     -0.6599000    
 C    1.777900      -2.342300      0.2387000    
 C   -1.827100     -0.6724000      -1.891600    
 C   -4.203600     -0.3881000     -0.1417000    
 C    3.211000      -2.181000     -0.2526000    
 C    3.686800     -0.7704000     -1.7999999E-02
 C    2.999800      0.2312000      -2.193900    
 C    3.365400       1.715900     -0.2756000    
 C    4.763100     -0.5401000      0.7504000    
 C   -4.271900       1.123000     -0.1529000    
 C    4.435000       1.951800      0.4904000    
 C    5.218700      0.8336000       1.045800    
 C   -4.192700       3.024800       1.252200    
 H  -0.4527000      -1.165600       1.311100    
 H   0.7722000      -1.506200      -1.451300    
 H    1.402000      0.2871000      0.9467000    
 H   -1.105400       1.201200      0.9654000    
 H   -1.767600       1.717500     -0.5837000    
 H  -0.9122000      -3.444200      0.9836000    
 H   -1.162600      -3.261600     -0.7565000    
 H   0.6483000       2.215600     -0.2452000    
 H   -3.376500      -2.885900     -0.3395000    
 H   -3.105000      -2.833300       1.410300    
 H    1.434700      -3.354300     -7.0000002E-03
 H    1.759000      -2.260500       1.333700    
 H   -2.454100      0.1188000      -2.317000    
 H  -0.8996000     -0.6819000      -2.466800    
 H   -2.321800      -1.625300      -2.105700    
 H   -4.380900     -0.7607000      -1.155400    
 H    3.274900      -2.423800      -1.319500    
 H    3.847000      -2.909700      0.2646000    
 H    2.639200       1.125600      -2.713300    
 H    4.055000      0.1209000      -2.477400    
 H    2.465400     -0.6270000      -2.612300    
 H   -3.601700     -0.7425000       2.246300    
 H    2.843400       2.581400     -0.6778000    
 H  -0.2882000       2.062900      -2.280600    
 H    5.330200      -1.349800       1.197400    
 H    4.758000       2.962300      0.7122000    
 H   -6.085800     -0.6553000      0.2720000    
 H   -4.046600       3.273200       2.306700    
 H   -5.179000       3.381200      0.9403000    
 H   -3.403900       3.505600      0.6659000    


%chk=000178942-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000178942

0 1
O -2.593233 -0.328530 1.873731
O 0.572003 1.515561 -1.927088
O -5.128067 -0.917564 0.934563
O -5.282071 1.652716 0.941250
O -3.778575 2.041238 -0.789722
O 6.410856 0.990951 1.705540
C -1.479770 -0.349542 -0.314332
C -0.480746 -1.441574 0.197510
C 0.919478 -1.356616 -0.444089
C 1.520333 0.055694 -0.157264
C -2.765393 -0.782867 0.480495
C -0.880400 1.028261 0.060995
C -1.269681 -2.765500 0.076287
C 0.562809 1.238284 -0.466702
C -2.740156 -2.357231 0.405495
C 2.999236 0.206448 -0.744025
C 1.844363 -2.451612 0.148287
C -1.759251 -0.464854 -1.839585
C -4.170745 -0.279226 0.014140
C 3.328102 -2.309436 -0.289932
C 3.825727 -0.894460 -0.074796
C 3.074044 0.024050 -2.301460
C 3.531489 1.594617 -0.447129
C 4.915137 -0.618708 0.708005
C -4.339706 1.244359 -0.008990
C 4.625161 1.849251 0.326202
C 5.392449 0.755550 0.970798
C -5.556129 3.109792 1.014055
H -0.352788 -1.240058 1.283441
H 0.835225 -1.512576 -1.538086
H 1.650200 0.109075 0.947898
H -0.868395 1.110548 1.163844
H -1.509314 1.858056 -0.314456
H -0.894082 -3.540498 0.766398
H -1.190032 -3.172740 -0.949975
H 0.965533 2.139753 0.044825
H -3.447386 -2.731918 -0.355468
H -3.076629 -2.766821 1.372672
H 1.474115 -3.454081 -0.139061
H 1.793509 -2.392423 1.255536
H -2.421419 0.356330 -2.168639
H -0.824612 -0.384433 -2.415227
H -2.243692 -1.423657 -2.101290
H -4.362709 -0.630073 -1.018115
H 3.410911 -2.578075 -1.362565
H 3.958219 -3.024548 0.269732
H 2.516408 0.830284 -2.799406
H 4.130982 0.046058 -2.622693
H 2.636389 -0.936002 -2.621982
H -3.401529 -0.643407 2.360896
H 3.002880 2.416456 -0.948582
H -0.205643 2.094656 -2.131074
H 5.485629 -1.424966 1.186325
H 4.992223 2.868551 0.494987
H -5.789584 -0.231391 1.214555
H -6.344482 3.212541 1.772029
H -5.891215 3.479883 0.031324
H -4.640277 3.642423 1.317218


