%chk=000090569.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000090569

0 1
 O  -0.8365000       2.405400      0.3711000    
 O   -2.423000      -2.661300     -0.2420000    
 C    4.323100     -6.5099999E-02 -0.5078000    
 C    5.802300      0.3103000     -0.2865000    
 C    3.508600     -0.3033000      0.7793000    
 C    2.066300     -0.6094000      0.5517000    
 C  -0.2198000      0.1403000      0.2855000    
 C  -0.6341000      -1.183500      0.1244000    
 C    1.133700      0.4270000      0.4998000    
 C    5.889800       1.573900      0.5746000    
 C    6.549400      0.5339000      -1.602100    
 C    1.652900      -1.930300      0.3905000    
 C   0.3050000      -2.220500      0.1770000    
 C   -1.199900       1.244100      0.2318000    
 C   -2.624900      0.9273000      5.5999998E-03
 C   -3.039300     -0.3965000     -0.1552000    
 C   -2.059200      -1.500300     -0.1015000    
 C   -3.564000       1.964400     -4.7100000E-02
 C   -4.392900     -0.6834000     -0.3687000    
 C   -4.912000       1.674100     -0.2599000    
 C   -5.325500      0.3531000     -0.4205000    
 H    4.279200     -0.9716000      -1.126200    
 H    3.836300      0.7239000      -1.097100    
 H    6.296600     -0.5092000      0.2498000    
 H    3.563900      0.5742000       1.433700    
 H    3.972100      -1.117900       1.351400    
 H    1.469100       1.453900      0.6242000    
 H    6.925500       1.926800      0.6367000    
 H    5.563100       1.387000       1.601700    
 H    5.284600       2.386500      0.1586000    
 H    6.507700     -0.3650000      -2.225900    
 H    6.112000       1.361200      -2.171200    
 H    7.603800      0.7661000      -1.419100    
 H    2.371800      -2.744700      0.4270000    
 H   8.0000004E-03  -3.258600      5.3900000E-02
 H   -3.267100       3.002500      7.5099997E-02
 H   -4.740800      -1.704900     -0.4968000    
 H   -5.640100       2.479000     -0.3005000    
 H   -6.375500      0.1298000     -0.5862000    


%chk=000090569-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000090569

0 1
O -0.876252 2.476966 0.487629
O -2.443842 -2.753242 -0.349218
C 4.299009 0.048412 -0.455121
C 5.816077 0.326631 -0.282066
C 3.551199 -0.255472 0.876087
C 2.087623 -0.584214 0.643081
C -0.246699 0.149885 0.333499
C -0.655203 -1.200011 0.116819
C 1.112823 0.440071 0.593310
C 6.087366 1.602930 0.551085
C 6.497024 0.429504 -1.668039
C 1.664733 -1.926250 0.425825
C 0.315633 -2.230547 0.167000
C -1.235860 1.271604 0.294406
C -2.665495 0.924576 0.019791
C -3.070257 -0.425895 -0.196435
C -2.080221 -1.548383 -0.156337
C -3.629973 1.961583 -0.025100
C -4.432324 -0.717383 -0.453987
C -4.982963 1.663044 -0.282007
C -5.385282 0.319949 -0.496924
H 4.164548 -0.813614 -1.139906
H 3.821748 0.919240 -0.950031
H 6.260394 -0.538483 0.256580
H 3.632962 0.619000 1.547693
H 4.056449 -1.103518 1.378967
H 1.389970 1.487194 0.759735
H 7.173588 1.792284 0.635344
H 5.682996 1.526611 1.576722
H 5.627595 2.487060 0.068115
H 6.348943 -0.493267 -2.259668
H 6.077500 1.274147 -2.248020
H 7.585183 0.598294 -1.566775
H 2.406506 -2.732867 0.467632
H -0.017163 -3.260442 0.003068
H -3.291805 2.988685 0.144441
H -4.714248 -1.762548 -0.615963
H -5.724771 2.468066 -0.315853
H -6.437310 0.089602 -0.696281


