%chk=000113461.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000113461

0 1
 O    5.397300      0.1938000      0.3395000    
 O   -2.939300       1.030800      0.6731000    
 O   -3.268300      -1.296500      0.4919000    
 C  -0.6616000      0.9196000      -1.219000    
 C   0.8426000      0.6796000      -1.479200    
 C    1.657700      0.4185000     -0.2067000    
 C    3.151000      0.2651000     -0.5313000    
 C    4.037200     -7.9400003E-02  0.6829000    
 C   -1.319000     -0.2860000     -0.5121000    
 C   -1.350100       1.239500      -2.550900    
 C   -2.810200     -0.1152000     -0.1781000    
 C    3.661000      0.8201000       1.865000    
 C    3.925600      -1.550200       1.089700    
 C    5.828300     -0.6199000     -0.7391000    
 C   -4.261400       1.552800      0.6788000    
 C   -3.551800      -2.366100     -0.4001000    
 C   -4.312900       2.755100       1.597300    
 C   -4.026000      -3.561500      0.3984000    
 H  -0.7526000       1.801600     -0.5722000    
 H   0.9631000     -0.1693000      -2.164800    
 H    1.258900       1.557300      -1.990300    
 H    1.493900       1.255700      0.4798000    
 H    1.312900     -0.4962000      0.2843000    
 H    3.241300     -0.5093000      -1.303100    
 H    3.508600       1.196000     -0.9925000    
 H  -0.8052000     -0.4729000      0.4382000    
 H   -1.157300      -1.182000      -1.120700    
 H  -0.8291000       2.048500      -3.074500    
 H   -2.381200       1.571200      -2.397100    
 H   -1.365200      0.3647000      -3.209700    
 H   -3.392500      3.9099999E-02  -1.094700    
 H    2.677100      0.5877000       2.283900    
 H    3.687500       1.877700       1.578100    
 H    4.395800      0.7086000       2.671700    
 H    3.946800      -2.229900      0.2313000    
 H    2.979600      -1.744800       1.607600    
 H    4.742000      -1.839300       1.761400    
 H    5.851400      -1.684500     -0.4954000    
 H    5.287700     -0.4322000      -1.669300    
 H    6.868700     -0.3410000     -0.9407000    
 H   -4.961200      0.7866000       1.029900    
 H   -4.544200       1.855900     -0.3354000    
 H   -2.662400      -2.651600     -0.9681000    
 H   -4.336500      -2.061300      -1.101500    
 H   -4.020700       2.475400       2.614900    
 H   -3.608800       3.524800       1.264400    
 H   -5.318500       3.184100       1.624000    
 H   -3.258600      -3.876300       1.113400    
 H   -4.918100      -3.307300      0.9804000    
 H   -4.262000      -4.402900     -0.2592000    


%chk=000113461-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000113461

0 1
O 5.572471 0.263777 0.348785
O -2.874072 0.921828 0.579872
O -3.320647 -1.391939 0.341822
C -0.616212 0.827001 -1.349973
C 0.902131 0.573371 -1.557167
C 1.712546 0.367541 -0.254955
C 3.236468 0.335330 -0.520962
C 4.131615 0.071682 0.722304
C -1.303317 -0.388140 -0.673681
C -1.281561 1.189649 -2.700381
C -2.783941 -0.188211 -0.332285
C 3.939368 1.148606 1.806712
C 3.918755 -1.342801 1.310460
C 6.119105 -0.631333 -0.668485
C -4.260492 1.288967 0.938651
C -4.041209 -2.309614 -0.555436
C -4.184896 2.519938 1.840026
C -4.602980 -3.440729 0.306348
H -0.731318 1.690622 -0.664351
H 1.040518 -0.306729 -2.222068
H 1.327739 1.442131 -2.102049
H 1.468053 1.185972 0.450650
H 1.401038 -0.576093 0.232835
H 3.436561 -0.444353 -1.285023
H 3.552341 1.303132 -0.960678
H -0.799503 -0.633721 0.278453
H -1.218731 -1.278622 -1.330330
H -0.751364 2.031285 -3.184043
H -2.336057 1.495317 -2.573223
H -1.255857 0.330459 -3.399662
H -3.413154 0.003431 -1.237593
H 2.928387 1.100904 2.246371
H 4.096481 2.153994 1.378201
H 4.680697 1.000078 2.610929
H 3.992474 -2.129573 0.537353
H 2.920754 -1.425190 1.776133
H 4.677268 -1.541777 2.088501
H 6.042434 -1.700157 -0.380773
H 5.643417 -0.491847 -1.660934
H 7.185346 -0.361681 -0.747115
H -4.737310 0.433228 1.453504
H -4.832594 1.504676 0.007969
H -3.352435 -2.714821 -1.328903
H -4.858678 -1.764135 -1.078816
H -3.598656 2.294022 2.747321
H -3.699326 3.361079 1.315438
H -5.199042 2.834775 2.147408
H -3.785420 -3.975546 0.819494
H -5.285441 -3.038128 1.074857
H -5.160456 -4.163455 -0.317317


