%chk=000044295.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000044295

0 1
 O   -4.000900      -1.468300      0.2824000    
 C   0.8243000      0.2273000      2.3200000E-02
 C   0.2337000      -1.055800      0.1300000    
 C    2.260200      0.3378000     -2.6600000E-02
 C   -2.020500     -9.1899998E-02  0.1292000    
 C   -1.462600       1.195000      2.4200000E-02
 C  -6.2300000E-02   1.333600     -2.6799999E-02
 C   -1.163800      -1.199700      0.1808000    
 C    3.048300     -0.8411000      3.3300001E-02
 C    1.043200      -2.193600      0.1858000    
 C    2.429100      -2.088300      0.1385000    
 C   -3.417400     -0.2374000      0.1801000    
 C    2.961800       1.565100     -0.1342000    
 C   -2.316900       2.310100     -2.6900001E-02
 C    4.451100     -0.7681000     -1.2500000E-02
 C   -4.252000      0.8788000      0.1281000    
 C   -3.702000       2.152100      2.4599999E-02
 C    4.357400       1.624100     -0.1791000    
 C    5.102400      0.4568000     -0.1179000    
 C   -4.313000      -2.136700     -0.9363000    
 H   0.3359000       2.343600     -0.1080000    
 H   -1.581000      -2.202700      0.2693000    
 H   0.6025000      -3.185600      0.2678000    
 H    3.020500      -3.000900      0.1853000    
 H    2.432100       2.512800     -0.1860000    
 H   -1.908100       3.315300     -0.1078000    
 H    5.054000      -1.673300      3.3700000E-02
 H   -5.331500      0.7621000      0.1688000    
 H   -4.349700       3.023000     -1.5900001E-02
 H    4.856500       2.585300     -0.2617000    
 H    6.186800      0.4972000     -0.1524000    
 H   -5.087300      -1.588600      -1.482500    
 H   -4.696800      -3.131200     -0.6929000    
 H   -3.423600      -2.250300      -1.564100    


%chk=000044295-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000044295

0 1
O -3.749782 -1.740993 -0.296631
C 0.957456 0.204046 -0.054519
C 0.404138 -1.142794 -0.079973
C 2.417999 0.373258 0.028983
C -1.887057 -0.234240 -0.208700
C -1.349884 1.114783 -0.187214
C 0.059309 1.290790 -0.110912
C -0.994201 -1.331376 -0.155521
C 3.259929 -0.796026 0.079086
C 1.297036 -2.283219 -0.027281
C 2.663336 -2.118228 0.047979
C -3.323361 -0.405511 -0.283538
C 3.047569 1.653198 0.064495
C -2.252582 2.234238 -0.242965
C 4.677063 -0.645723 0.160488
C -4.177007 0.699928 -0.335548
C -3.626139 2.024374 -0.315170
C 4.443217 1.782057 0.144871
C 5.268505 0.624622 0.193197
C -5.190732 -1.992626 -0.365791
H 0.435240 2.319302 -0.097277
H -1.403325 -2.346155 -0.172785
H 0.856131 -3.286691 -0.048845
H 3.329092 -2.988576 0.086723
H 2.439901 2.562818 0.030107
H -1.843202 3.250398 -0.227531
H 5.301143 -1.546783 0.197659
H -5.262273 0.576699 -0.390536
H -4.311340 2.878192 -0.357485
H 4.897868 2.778489 0.170772
H 6.357216 0.728229 0.255675
H -5.713294 -1.566616 0.512503
H -5.292208 -3.087666 -0.365802
H -5.625362 -1.575700 -1.295013


