%chk=000090761.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000090761

0 1
 O    1.009100       1.299500      0.7204000    
 O  -9.5799997E-02   1.080900     -0.2056000    
 O   -1.296600       1.146100       1.766000    
 C    2.569200      -1.325400     -0.1976000    
 C    2.320500      4.3699998E-02 -0.9042000    
 C    2.173800       1.355500     -9.1200002E-02
 C    1.997000      -1.344800       1.231600    
 C    4.101400      -1.506400     -7.2700001E-02
 C    2.016600      -2.519800     -0.9872000    
 C    3.354700       1.667400      0.8235000    
 C    1.981100       2.526400      -1.068700    
 C   -2.433100      0.7944000     -0.3617000    
 C   -3.143400     -0.5339000     -4.6000000E-02
 C   -2.213600      -1.743200     -0.2063000    
 C   -3.378000       2.006900     -0.2942000    
 C   -1.234900       1.022500      0.5497000    
 C   -2.937400      -3.046900      0.1322000    
 C   -2.756600       3.330800     -0.7209000    
 C   -2.034000      -4.253500     -6.7000002E-02
 H    1.417400     -8.7700002E-02  -1.516000    
 H    3.118000      0.1943000      -1.646700    
 H    2.462700     -0.6517000       1.927300    
 H    2.138700      -2.339200       1.675100    
 H   0.9173000      -1.169600       1.226500    
 H    4.570500     -0.7207000      0.5243000    
 H    4.581500      -1.510400      -1.058100    
 H    4.342900      -2.461800      0.4086000    
 H   0.9262000      -2.457900      -1.074100    
 H    2.258500      -3.472300     -0.5026000    
 H    2.430500      -2.544700      -2.001300    
 H    3.457700      0.9988000       1.676100    
 H    3.233100       2.664000       1.266900    
 H    4.297300       1.670500      0.2660000    
 H    1.191800       2.335900      -1.804700    
 H    1.695800       3.440300     -0.5345000    
 H    2.901900       2.728300      -1.627300    
 H   -2.065700      0.7279000      -1.395600    
 H   -4.008400     -0.6505000     -0.7103000    
 H   -3.528300     -0.5085000      0.9813000    
 H   -1.342800      -1.643100      0.4502000    
 H   -1.840400      -1.783000      -1.236900    
 H   -3.762500       2.117500      0.7276000    
 H   -4.247000       1.814800     -0.9356000    
 H   -3.824900      -3.155800     -0.5020000    
 H   -3.282400      -3.021900       1.172400    
 H   -2.359500       3.264200      -1.738700    
 H   -3.509900       4.124700     -0.7009000    
 H   -1.942300       3.625000     -5.1800001E-02
 H   -1.149000      -4.190600      0.5743000    
 H   -2.570200      -5.174400      0.1826000    
 H   -1.699600      -4.325800      -1.106900    


%chk=000090761-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000090761

0 1
O 1.127015 1.582689 0.484023
O -0.191674 1.319746 -0.281342
O -1.171547 1.038158 1.849971
C 2.656289 -1.355412 0.163816
C 2.288122 -0.223171 -0.854975
C 2.253898 1.283541 -0.473042
C 1.871931 -1.247123 1.498033
C 4.183546 -1.409624 0.453188
C 2.264438 -2.696604 -0.525179
C 3.437591 1.812603 0.368851
C 2.089494 2.141627 -1.749025
C -2.538610 0.924480 -0.220753
C -3.134826 -0.489554 0.027175
C -2.238233 -1.647882 -0.462971
C -3.539500 2.049629 0.170620
C -1.259412 1.087776 0.611308
C -2.887364 -3.035523 -0.257547
C -3.039491 3.470928 -0.162075
C -1.988116 -4.195345 -0.737025
H 1.277810 -0.447549 -1.253413
H 2.980703 -0.315488 -1.717941
H 2.131346 -0.341093 2.070379
H 2.088108 -2.129123 2.131522
H 0.781534 -1.208706 1.324023
H 4.537481 -0.532770 1.019657
H 4.764870 -1.469263 -0.487542
H 4.422323 -2.308413 1.053054
H 1.174763 -2.744021 -0.713299
H 2.537207 -3.556764 0.114820
H 2.783120 -2.816882 -1.496060
H 3.448182 1.376662 1.380296
H 3.370029 2.909539 0.466581
H 4.386524 1.558523 -0.134381
H 1.262707 1.770313 -2.377364
H 1.876320 3.189184 -1.474289
H 3.020471 2.115902 -2.344104
H -2.278435 1.028868 -1.292137
H -4.113807 -0.538702 -0.491287
H -3.335147 -0.604227 1.110813
H -1.268384 -1.621969 0.075165
H -2.004072 -1.507199 -1.539137
H -3.751545 1.967291 1.254021
H -4.490248 1.852905 -0.363198
H -3.856357 -3.068838 -0.796554
H -3.123795 -3.169383 0.817476
H -2.820211 3.576176 -1.241127
H -3.800566 4.226209 0.105143
H -2.116738 3.714504 0.395306
H -1.025257 -4.201146 -0.191530
H -2.472212 -5.176063 -0.576458
H -1.761374 -4.102613 -1.816185


