%chk=000113453.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000113453

0 1
 O    2.827900       1.310900      -1.622800    
 C  -0.9450000     -0.5750000     -0.2581000    
 C  -2.7600000E-02  0.3423000      0.6348000    
 C   -2.457800     -0.1719000     -0.3803000    
 C  -0.2514000       1.810100      0.1823000    
 C   -2.561300       1.335600     -0.7179000    
 C  -0.7015000      -2.050000      9.0099998E-02
 C   -1.719500       2.230900      0.1808000    
 C    1.455200     -9.1899998E-02  0.4489000    
 C  -0.2983000      0.2299000       2.155000    
 C   0.7520000      -2.430500     -0.1881000    
 C   -3.312900     -0.4988000      0.8582000    
 C   -3.104800     -0.9381000      -1.566000    
 C    1.782700      -1.350900      6.5800004E-02
 C    2.506200      0.9512000      0.7646000    
 C    3.192900      -1.830100     -0.1780000    
 C    2.863400       1.726300     -0.4693000    
 H  -0.5580000     -0.4492000      -1.284900    
 H   0.1391000       1.948800     -0.8342000    
 H   0.2880000       2.513600      0.8269000    
 H   -3.607500       1.664400     -0.6743000    
 H   -2.235800       1.498600      -1.754700    
 H   -1.339900      -2.716000     -0.4988000    
 H  -0.9441000      -2.254200       1.138000    
 H   -2.121500       2.237500       1.199000    
 H   -1.792100       3.264200     -0.1800000    
 H  -0.1591000     -0.7890000       2.530200    
 H   0.3884000      0.8652000       2.727700    
 H   -1.296800      0.5538000       2.440400    
 H   0.8295000      -2.722700      -1.244000    
 H   0.9984000      -3.321400      0.4025000    
 H   -4.379300     -0.3649000      0.6366000    
 H   -3.183800      -1.536800       1.179600    
 H   -3.105700      0.1507000       1.707500    
 H   -3.205300      -2.007800      -1.357400    
 H   -4.111700     -0.5578000      -1.776700    
 H   -2.516000     -0.8268000      -2.483300    
 H    3.421600      0.5207000       1.181700    
 H    2.155200       1.653100       1.526400    
 H    3.476500      -2.561000      0.5863000    
 H    3.941300      -1.035300     -0.1773000    
 H    3.259700      -2.315300      -1.158100    
 H    3.258200       2.738800     -0.2725000    


%chk=000113453-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000113453

0 1
O 2.764442 1.699614 -1.540992
C -0.973513 -0.588845 -0.246400
C -0.059854 0.349541 0.633284
C -2.496905 -0.207460 -0.358712
C -0.261562 1.812468 0.115004
C -2.597879 1.295184 -0.768385
C -0.695485 -2.068119 0.104415
C -1.746393 2.241548 0.102230
C 1.418832 -0.096322 0.445092
C -0.351146 0.300570 2.167318
C 0.743129 -2.424642 -0.317290
C -3.325581 -0.480379 0.927111
C -3.140801 -1.036767 -1.509186
C 1.769200 -1.345936 0.009407
C 2.489668 0.925525 0.806826
C 3.200819 -1.803723 -0.220898
C 3.060902 1.776412 -0.327600
H -0.583671 -0.440163 -1.280389
H 0.144472 1.882884 -0.913603
H 0.311780 2.527663 0.738131
H -3.662122 1.606521 -0.746668
H -2.260120 1.391505 -1.822069
H -1.404537 -2.740570 -0.411363
H -0.826013 -2.243137 1.189024
H -2.148576 2.279754 1.134200
H -1.822055 3.273623 -0.293145
H -0.427380 -0.737241 2.534808
H 0.472935 0.781824 2.727798
H -1.278732 0.829664 2.440382
H 0.771970 -2.609159 -1.413527
H 1.063024 -3.378912 0.151788
H -4.404870 -0.376110 0.704390
H -3.160932 -1.508151 1.300090
H -3.089251 0.217924 1.746512
H -3.271731 -2.100159 -1.237801
H -4.143216 -0.633378 -1.749373
H -2.527605 -0.989866 -2.429351
H 3.368373 0.447208 1.289426
H 2.126388 1.644044 1.571523
H 3.486786 -2.593958 0.502929
H 3.946952 -0.996130 -0.161410
H 3.291718 -2.253636 -1.229114
H 3.828041 2.520488 0.022187


