%chk=000042599.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000042599

0 1
 O   -3.734200      -1.791100      -3.151800    
 O   -3.749200      -1.759800       1.528800    
 O    1.301500      -1.980000       3.424600    
 O   -3.984400       1.608900       1.451100    
 O   -3.847800       3.762600      0.7504000    
 C   -1.911600      -1.553700      -1.538000    
 C   -1.890400      -1.533400     -2.2000000E-03
 C   -3.403800      -1.390800      -1.834800    
 C   -3.135100      -2.348800      0.3903000    
 C   -4.078800      -2.305900     -0.8162000    
 C   -1.064200     -0.4578000      -2.176100    
 C  -0.6355000      -2.090000      0.5922000    
 C   -1.379300      0.9591000      -1.783100    
 C   0.1727000      -1.400900       1.410800    
 C    1.433700      -1.965000       2.004700    
 C  -0.5725000       1.822800      -1.148000    
 C    2.646600      -1.103500       1.623600    
 C  -0.9672000       3.229500     -0.8035000    
 C    2.941100      -1.074100      0.1163000    
 C  -0.9254000       3.530500      0.7011000    
 C    4.183700     -0.3001000     -0.2458000    
 C   -1.840200       2.633300       1.540200    
 C    4.086200       1.056000     -0.5188000    
 C    5.403600     -0.9573000     -0.3002000    
 C   -3.306400       2.755900       1.186100    
 C    5.235400       1.771900     -0.8541000    
 C    6.552900     -0.2415000     -0.6354000    
 C    6.468800       1.123100     -0.9123000    
 H   -1.564100      -2.522700      -1.924200    
 H   -2.028300     -0.5066000      0.3594000    
 H   -3.753900     -0.3646000      -1.682600    
 H   -2.897900      -3.388300      0.6433000    
 H   -5.084000      -1.949400     -0.5664000    
 H   -4.192100      -3.313900      -1.234400    
 H   -1.164100     -0.5247000      -3.267200    
 H  -7.0000002E-03 -0.6636000      -1.964900    
 H  -0.3744000      -3.112500      0.3291000    
 H   -4.701500      -1.743000      -3.238300    
 H   -4.032500     -0.8609000       1.288900    
 H   -2.362100       1.319300      -2.079900    
 H  -8.3700001E-02 -0.3797000       1.680800    
 H    1.594300      -2.999400       1.678900    
 H   0.4243000       1.502700     -0.8565000    
 H    2.510300     -7.9700001E-02   1.998800    
 H    3.527200      -1.483300       2.159500    
 H   -1.961100       3.464600      -1.202000    
 H  -0.2704000       3.908300      -1.310600    
 H    3.037000      -2.102000     -0.2579000    
 H    2.091000     -0.6450000     -0.4283000    
 H   -1.202900       4.580600      0.8537000    
 H   0.1036000       3.420000       1.065500    
 H    2.119000      -2.357600       3.791500    
 H   -1.533900       1.588500       1.435600    
 H   -1.739500       2.898600       2.598800    
 H    3.130600       1.570700     -0.4736000    
 H    5.479600      -2.019200     -8.4200002E-02
 H    5.170000       2.834500      -1.069000    
 H    7.513400     -0.7464000     -0.6802000    
 H    7.363800       1.680400      -1.172900    
 H   -4.938300       1.689900       1.237200    


%chk=000042599-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000042599

0 1
O -2.971509 -1.511542 -3.243859
O -3.837032 -1.260388 1.411763
O 1.746403 -1.630635 3.654347
O -4.900014 1.292237 0.503103
O -5.020597 3.601014 0.347415
C -1.510537 -1.079756 -1.336831
C -1.599990 -1.211724 0.218882
C -2.975134 -1.178666 -1.810497
C -2.945665 -1.994032 0.508166
C -3.573410 -2.265999 -0.891362
C -0.719834 0.163414 -1.835986
C -0.372050 -1.856469 0.813563
C -1.372322 1.489989 -1.503543
C 0.500141 -1.248487 1.657229
C 1.765761 -1.872917 2.191908
C -0.948862 2.367698 -0.554567
C 3.042789 -1.251472 1.563773
C -1.644543 3.669339 -0.209417
C 3.227837 -1.625410 0.067758
C -2.171273 3.716233 1.254812
C 4.454454 -0.966818 -0.545566
C -3.145852 2.566046 1.600961
C 4.363858 0.318174 -1.141653
C 5.722923 -1.601566 -0.502375
C -4.409794 2.599788 0.769763
C 5.507131 0.953215 -1.676949
C 6.869890 -0.971050 -1.035731
C 6.766124 0.310740 -1.624334
H -1.002068 -1.979901 -1.743523
H -1.710910 -0.200592 0.656427
H -3.501956 -0.212409 -1.649143
H -2.752915 -2.931024 1.055021
H -4.676895 -2.269613 -0.836098
H -3.242152 -3.252331 -1.271459
H -0.611586 0.070502 -2.934222
H 0.298166 0.124413 -1.399410
H -0.182383 -2.900298 0.510142
H -3.904656 -1.627988 -3.553730
H -4.130884 -0.399754 1.001615
H -2.270689 1.750649 -2.086312
H 0.322918 -0.215861 1.993099
H 1.763489 -2.967281 1.987160
H -0.045084 2.125258 0.029873
H 3.002809 -0.150872 1.676378
H 3.932538 -1.599672 2.130765
H -2.487029 3.840787 -0.906616
H -0.945395 4.519782 -0.342295
H 3.305080 -2.727834 -0.017430
H 2.316658 -1.324463 -0.483419
H -2.673389 4.687049 1.422694
H -1.318660 3.660673 1.958857
H 2.618585 -1.914903 4.032205
H -2.663120 1.581983 1.487813
H -3.456641 2.644765 2.662454
H 3.388472 0.819280 -1.192675
H 5.809746 -2.599864 -0.054425
H 5.416569 1.943259 -2.138528
H 7.840442 -1.479074 -0.997650
H 7.653461 0.799931 -2.041625
H -5.768810 1.359950 0.021082


