%chk=000081259.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000081259

0 1
 O   -3.694200      -3.261700      0.2784000    
 O    5.191700      -1.279500      0.2507000    
 C   3.2499999E-02  0.9323000     -0.3182000    
 C  -0.2402000       2.074700      0.7413000    
 C   -1.545600       2.910000      0.6609000    
 C  -0.9885000     -0.2173000     -0.1544000    
 C    1.460700      0.3195000     -0.1609000    
 C  -1.0800000E-02   1.614500      -1.716600    
 C   -1.814300       3.538500     -0.7038000    
 C   -2.734400       2.012000       1.035400    
 C  -0.9968000     -0.9066000       1.027500    
 C    1.827200     -0.6514000      -1.041100    
 C   -1.829500     -0.4827000      -1.200500    
 C    2.240600      0.7998000      0.8457000    
 C   -1.918400      -1.943300       1.174800    
 C    3.102900      -1.197900     -0.9003000    
 C   -2.751200      -1.519200      -1.053100    
 C    3.516200      0.2535000      0.9863000    
 C   -2.795600      -2.249700      0.1345000    
 C    3.947400     -0.7455000      0.1134000    
 H  -0.1763000       1.677100       1.763400    
 H   0.5612000       2.823300      0.6512000    
 H   -1.466200       3.709300       1.408900    
 H   0.6341000       2.501900      -1.739200    
 H  -0.9856000       1.867600      -2.113700    
 H   0.4005000      0.9596000      -2.496300    
 H  -0.9191000       3.961600      -1.165000    
 H   -2.480600       4.398400     -0.5456000    
 H   -2.381700       2.900600      -1.384700    
 H   -3.593400       2.648700       1.281700    
 H   -3.071700       1.369400      0.2226000    
 H   -2.529400       1.411400       1.926600    
 H  -0.3239000     -0.6820000       1.847900    
 H    1.182900      -1.025500      -1.828600    
 H   -1.832600      3.2400001E-02  -2.150700    
 H    1.968200       1.561300       1.562100    
 H   -1.948500      -2.508300       2.102500    
 H    3.425900      -1.977500      -1.585200    
 H   -3.427000      -1.751100      -1.872100    
 H    4.169700      0.6075000       1.779200    
 H   -4.219900      -3.334400     -0.5367000    
 H    5.322000      -1.955700     -0.4363000    


%chk=000081259-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000081259

0 1
O -3.911011 -3.169446 0.123224
O 5.389154 -1.267898 0.443690
C 0.095370 0.995341 -0.443140
C -0.220290 2.139861 0.594663
C -1.625547 2.820473 0.717123
C -0.973788 -0.119219 -0.362294
C 1.495741 0.377115 -0.134659
C 0.223672 1.589255 -1.880899
C -2.202034 3.423340 -0.587231
C -2.701999 1.963300 1.431259
C -1.026864 -0.953264 0.790080
C 1.854867 -0.854349 -0.744697
C -1.933987 -0.348262 -1.376117
C 2.483582 1.021831 0.655372
C -2.001562 -1.954674 0.939904
C 3.131550 -1.425937 -0.574677
C -2.922995 -1.351980 -1.246433
C 3.767532 0.464708 0.839780
C -2.959577 -2.151825 -0.082376
C 4.093634 -0.760913 0.223015
H 0.019661 1.749555 1.605108
H 0.507666 2.953355 0.393963
H -1.423835 3.681052 1.393659
H 1.034787 2.339008 -1.894900
H -0.697807 2.084784 -2.223768
H 0.488376 0.800850 -2.608450
H -1.455830 4.037918 -1.124243
H -3.067612 4.071015 -0.350964
H -2.562058 2.632858 -1.270277
H -3.573825 2.594619 1.690462
H -3.061411 1.135108 0.798158
H -2.310734 1.524984 2.368227
H -0.280707 -0.818847 1.581606
H 1.114439 -1.386188 -1.353044
H -1.925646 0.253603 -2.290391
H 2.265435 1.974073 1.146700
H -2.037289 -2.590175 1.829819
H 3.373402 -2.383133 -1.055995
H -3.655287 -1.506501 -2.050340
H 4.521385 0.965758 1.454632
H -4.532619 -3.227608 -0.644205
H 5.512361 -2.127950 -0.029344


