%chk=000001247.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000001247

0 1
 O    2.468100       1.858400     -1.5000000E-02
 O   -2.260800       1.145900     -0.3513000    
 O    3.216600      -1.542500       1.298200    
 O   0.7355000      -2.638000     -0.1701000    
 O  -4.2500000E-02  -4.785200     -0.2283000    
 C    4.077800      4.6200000E-02 -0.3341000    
 C    3.004400      -1.008500     -9.3999999E-03
 C    1.619000     -0.4173000     -0.1029000    
 C   0.1373000       1.510800     -0.2083000    
 C   -2.491600       2.532500     -6.3400000E-02
 C    1.429800      0.9648000     -9.4599999E-02
 C    3.730000       1.335200      0.4301000    
 C  -3.3399999E-02   3.009800     -0.2206000    
 C   -1.415200       3.405800     -0.7094000    
 C  -0.9834000      0.6530000     -0.2667000    
 C  -0.8280000     -0.7517000     -0.2636000    
 C   0.4834000      -1.243800     -0.1816000    
 C    5.482900     -0.4760000     -2.9899999E-02
 C   -2.597500       2.725500       1.456400    
 C   -3.851000       2.870600     -0.6925000    
 C   -1.926500      -1.747400     -0.3319000    
 C    4.747300       2.453000      0.2148000    
 C   -3.369100      -1.333500     -0.4147000    
 C   -1.636500      -3.057100     -0.3183000    
 C  -0.2700000      -3.581100     -0.2370000    
 C   -3.987300      -1.185700      0.9697000    
 C   -5.439400     -0.7438000      0.8746000    
 H    4.014700      0.2600000      -1.411100    
 H    3.109800      -1.834000     -0.7235000    
 H    3.659000       1.147000       1.509600    
 H   0.1352000       3.393100      0.7927000    
 H   0.7099000       3.474800     -0.8792000    
 H   -1.591300       4.470400     -0.5156000    
 H   -1.444000       3.267200      -1.799300    
 H    6.247300      0.1925000     -0.4385000    
 H    5.656200     -0.5681000       1.047400    
 H    5.637500      -1.459800     -0.4860000    
 H   -1.691900       2.400200       1.978200    
 H   -2.785300       3.773300       1.713000    
 H   -3.413300       2.119200       1.867100    
 H   -4.114500       3.922700     -0.5416000    
 H   -3.845000       2.664700      -1.769200    
 H   -4.647800       2.253100     -0.2662000    
 H    4.398000       3.381100      0.6814000    
 H    5.722600       2.205400      0.6430000    
 H    4.873000       2.666900     -0.8523000    
 H    2.695700      -1.028200       1.937900    
 H   -3.541900     -0.4722000      -1.063400    
 H   -3.928200      -2.127900     -0.9335000    
 H   -2.424300      -3.803900     -0.3640000    
 H   -3.939800      -2.137000       1.513700    
 H   -3.432400     -0.4515000       1.564800    
 H   -6.039400      -1.485300      0.3374000    
 H   -5.531000      0.2122000      0.3529000    
 H   -5.865000     -0.6259000       1.876100    


%chk=000001247-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000001247

0 1
O 2.458409 1.910584 0.080743
O -2.303145 1.185807 -0.367820
O 3.351688 -1.556134 1.313796
O 0.791820 -2.594223 -0.034497
O 0.133263 -4.804903 -0.020622
C 4.093694 0.079491 -0.341439
C 3.029407 -0.993059 -0.018910
C 1.633729 -0.395902 -0.051587
C 0.112325 1.562004 -0.172975
C -2.548291 2.657630 -0.098750
C 1.412580 0.997335 -0.041570
C 3.798123 1.344153 0.492364
C -0.039951 3.070986 -0.247279
C -1.427380 3.466073 -0.785929
C -0.997541 0.691580 -0.250351
C -0.849664 -0.747539 -0.215707
C 0.494835 -1.225816 -0.110016
C 5.521671 -0.460315 -0.121885
C -2.584032 2.854390 1.430874
C -3.919180 2.916869 -0.736512
C -1.915985 -1.746283 -0.299356
C 4.777123 2.500814 0.313887
C -3.395274 -1.409021 -0.402105
C -1.586718 -3.097455 -0.254245
C -0.248386 -3.619846 -0.103647
C -4.033782 -1.123814 0.988278
C -5.542410 -0.821013 0.874069
H 3.970314 0.354086 -1.410478
H 3.089558 -1.805386 -0.770610
H 3.702271 1.058543 1.559844
H 0.134518 3.519504 0.750903
H 0.754252 3.484263 -0.894241
H -1.608812 4.545917 -0.632292
H -1.479961 3.271607 -1.874111
H 6.282477 0.259806 -0.470759
H 5.694840 -0.687065 0.943285
H 5.662273 -1.401132 -0.684274
H -1.642738 2.530000 1.905927
H -2.744170 3.920613 1.674649
H -3.410312 2.269525 1.870789
H -4.227838 3.962971 -0.560637
H -3.884107 2.739271 -1.825282
H -4.682886 2.251123 -0.297871
H 4.393285 3.403021 0.820423
H 5.755711 2.247611 0.755784
H 4.921772 2.735761 -0.755839
H 2.757776 -2.339331 1.447441
H -3.555500 -0.531864 -1.047935
H -3.921301 -2.271739 -0.854559
H -2.373166 -3.854142 -0.324879
H -3.872839 -1.999461 1.647208
H -3.512170 -0.267836 1.454772
H -6.088645 -1.673360 0.427860
H -5.721331 0.062776 0.232389
H -5.986503 -0.617575 1.865687


