%chk=000031403.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000031403

0 1
 O    5.451600     -0.2458000      0.7983000    
 O   -4.482700      -1.278500     -0.5560000    
 C   0.8112000      0.5143000     -0.1124000    
 C  -6.5499999E-02 -0.5573000     -0.8189000    
 C   -1.489900     -0.6668000     -0.2277000    
 C   -2.224400      0.6849000     -0.1055000    
 C    2.262100      0.6023000     -0.7274000    
 C    2.917200     -0.8185000     -0.7357000    
 C   6.5300003E-02   1.864000     -7.7200003E-02
 C   -1.316100       1.743200      0.5685000    
 C   0.6219000      -1.930300     -0.8534000    
 C   -3.404900      0.3383000      0.8359000    
 C   -1.577400      -1.267900       1.184600    
 C    2.029300      -1.860700      -1.435200    
 C    3.187100       1.566000      7.3200002E-02
 C   -2.842900     -0.6896000       1.824200    
 C    3.302600      -1.307700      0.6814000    
 C   -2.693000       1.211000      -1.474300    
 C    2.223200       1.155400      -2.176700    
 C    3.541000       1.072900       1.474800    
 C    4.178100     -0.3120000       1.436600    
 C   -4.587500     -0.2609000      0.1270000    
 C   -5.906200      0.4438000      0.2961000    
 H   0.9218000      0.2013000      0.9324000    
 H  -0.1979000     -0.2440000      -1.862600    
 H   -2.055300      -1.328800     -0.8975000    
 H    3.851600     -0.7612000      -1.312700    
 H  -3.9299998E-02   2.277000      -1.085000    
 H   0.6345000       2.597700      0.5024000    
 H   -1.171700       1.509200       1.630900    
 H   -1.809500       2.723500      0.5464000    
 H   2.4000000E-02  -2.624700      -1.456600    
 H   0.6686000      -2.363400      0.1516000    
 H   -3.751100       1.228300       1.375500    
 H  -0.7100000      -1.013000       1.801700    
 H   -1.628300      -2.361600       1.141700    
 H    2.495300      -2.851800      -1.371700    
 H    1.963700      -1.630600      -2.505300    
 H    2.747300       2.566400      0.1441000    
 H    4.125000       1.704900     -0.4831000    
 H   -3.557400      -1.484300       2.067200    
 H   -2.579800     -0.2009000       2.770000    
 H    2.408500      -1.509300       1.280800    
 H    3.842400      -2.258500      0.5860000    
 H   -3.330900       2.093700      -1.352900    
 H   -1.852600       1.498800      -2.113100    
 H   -3.259700      0.4628000      -2.037200    
 H    1.907900       2.204000      -2.197900    
 H    3.218600       1.116000      -2.635200    
 H    1.549400      0.5958000      -2.829800    
 H    4.239100       1.788200       1.926100    
 H    2.646500       1.057300       2.106900    
 H    4.345200     -0.6741000       2.457000    
 H   -6.185000      0.4520000       1.352700    
 H   -5.827800       1.465700     -8.3200000E-02
 H   -6.679900     -8.3300002E-02 -0.2690000    
 H    5.998400      0.3827000       1.299800    


%chk=000031403-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000031403

0 1
O 5.503016 -0.261981 0.714690
O -4.619586 -1.543492 -0.136935
C 0.804603 0.509978 -0.097124
C -0.076669 -0.566740 -0.804676
C -1.490290 -0.699968 -0.168944
C -2.257590 0.657911 -0.051165
C 2.244833 0.621585 -0.732398
C 2.925989 -0.797259 -0.770019
C 0.037712 1.859454 -0.052013
C -1.341552 1.718508 0.633016
C 0.630063 -1.943967 -0.874587
C -3.436173 0.302049 0.948746
C -1.537546 -1.311964 1.263134
C 2.039528 -1.840214 -1.498293
C 3.170568 1.578027 0.088380
C -2.787162 -0.692453 1.966250
C 3.332522 -1.316185 0.637070
C -2.744980 1.183288 -1.422662
C 2.181454 1.201825 -2.174571
C 3.538249 1.064486 1.496446
C 4.202539 -0.326901 1.425271
C -4.630186 -0.333211 0.226414
C -5.845931 0.551747 -0.022854
H 0.938657 0.181274 0.956790
H -0.230961 -0.227670 -1.852961
H -2.090318 -1.363230 -0.825649
H 3.870430 -0.679253 -1.340276
H -0.092518 2.247853 -1.080912
H 0.626349 2.620359 0.495927
H -1.180276 1.437461 1.693141
H -1.861695 2.698364 0.640704
H 0.005466 -2.646271 -1.462649
H 0.699737 -2.374379 0.143742
H -3.786781 1.229760 1.442902
H -0.618011 -1.077019 1.831600
H -1.614746 -2.411287 1.215381
H 2.539039 -2.829798 -1.470604
H 1.946374 -1.568129 -2.568244
H 2.711330 2.582554 0.161057
H 4.109833 1.704501 -0.487221
H -3.508440 -1.475394 2.256413
H -2.498921 -0.151931 2.885999
H 2.440529 -1.546937 1.249823
H 3.895028 -2.262394 0.521653
H -3.330630 2.116502 -1.314051
H -1.891988 1.409594 -2.086384
H -3.373127 0.436474 -1.942606
H 1.888596 2.267991 -2.161345
H 3.177875 1.139220 -2.651962
H 1.467982 0.667292 -2.825292
H 4.220906 1.783589 1.995467
H 2.637277 0.994500 2.138530
H 4.372937 -0.715929 2.453625
H -6.307410 0.827944 0.945698
H -5.551736 1.496865 -0.515611
H -6.589289 0.022165 -0.639207
H 6.086791 0.386738 1.183950


