%chk=000046308.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000046308

0 1
 O  -0.8110000      -1.696300       1.576000    
 O   0.7937000       1.700700       1.571800    
 C   -5.013500      4.7200002E-02 -0.1720000    
 C    4.996700     -4.7499999E-02 -0.1704000    
 C   -3.476000      3.0099999E-02 -0.1551000    
 C    3.505500     -3.0900000E-02 -0.1544000    
 C   -5.521500     -0.3253000      -1.581700    
 C   -5.521500       1.458600      0.1943000    
 C   -5.660700     -0.9430000      0.8226000    
 C    5.551400      0.3208000      -1.581400    
 C    5.551000      -1.458400      0.1993000    
 C    5.689900      0.9447000      0.8214000    
 C  -0.7330000      9.9999997E-05 -0.1252000    
 C   0.7162000     -3.0000001E-04 -0.1250000    
 C   -2.843600     -0.8298000      0.7073000    
 C    2.826600      0.8318000      0.7060000    
 C   -2.806300      0.8760000      -1.003200    
 C    2.789700     -0.8784000      -1.000000    
 C   -1.449000     -0.8452000      0.7225000    
 C    1.431900      0.8473000      0.7207000    
 C   -1.411600      0.8608000     -0.9881000    
 C    1.395100     -0.8632000     -0.9854000    
 H   -6.616900     -0.3624000      -1.609100    
 H   -5.209300      0.3974000      -2.343300    
 H   -5.147600      -1.309400      -1.888600    
 H   -5.209800       2.217000     -0.5321000    
 H   -6.616900       1.486000      0.2316000    
 H   -5.147300       1.770000       1.176800    
 H   -6.755300     -0.8884000      0.7683000    
 H   -5.389300      -1.982300      0.6029000    
 H   -5.388700     -0.7190000       1.861000    
 H    6.647500      0.3369000      -1.587200    
 H    5.234900     -0.3973000      -2.345800    
 H    5.198500       1.311400      -1.891900    
 H    5.234800      -2.223200     -0.5184000    
 H    6.647100      -1.464300      0.2160000    
 H    5.197400      -1.768100       1.189800    
 H    6.782200      0.8738000      0.7512000    
 H    5.422600       1.985100      0.6018000    
 H    5.421700      0.7264000       1.861700    
 H   -3.355000      -1.503700       1.383100    
 H    3.347500       1.505300       1.378100    
 H   -3.312600       1.553300      -1.682200    
 H    3.292700      -1.560100      -1.679700    
 H  -0.8696000       1.526700      -1.655600    
 H   0.8533000      -1.531100      -1.651100    
 H   0.1522000      -1.614900       1.496000    
 H    1.454100       2.205900       2.076000    


%chk=000046308-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000046308

0 1
O -1.073718 -0.720200 2.428316
O 1.004043 0.831852 2.366536
C -5.174945 -0.011477 -0.286379
C 5.199849 -0.055047 -0.297067
C -3.637147 0.028751 -0.130450
C 3.662342 -0.013375 -0.145088
C -5.546582 -0.958429 -1.467365
C -5.700148 1.423792 -0.594143
C -5.885309 -0.525486 0.991537
C 5.625262 0.888704 -1.462527
C 5.645463 -1.512184 -0.626559
C 5.935223 0.399515 0.989882
C -0.743095 0.103032 0.097051
C 0.749783 0.053152 0.077344
C -2.982163 -0.339752 1.061700
C 3.019718 0.385614 1.048720
C -2.821077 0.467266 -1.213146
C 2.821244 -0.394209 -1.226727
C -1.570633 -0.296371 1.195028
C 1.611739 0.415651 1.145059
C -1.423181 0.496395 -1.093770
C 1.421017 -0.363660 -1.110853
H -6.644199 -0.983904 -1.605775
H -5.091713 -0.623772 -2.416791
H -5.196724 -1.988051 -1.269203
H -5.255315 1.833218 -1.518867
H -6.799085 1.408033 -0.723168
H -5.457163 2.115844 0.232869
H -6.978640 -0.542341 0.827533
H -5.567736 -1.552495 1.249609
H -5.685757 0.128121 1.860586
H 6.722609 0.855919 -1.598599
H 5.156160 0.593131 -2.417663
H 5.332246 1.933393 -1.251186
H 5.180879 -1.880678 -1.558507
H 6.743433 -1.554338 -0.754669
H 5.363842 -2.204879 0.187463
H 7.027492 0.354848 0.827397
H 5.681802 1.441661 1.260625
H 5.700693 -0.255485 1.849816
H -3.537234 -0.672229 1.942414
H 3.613950 0.681590 1.921518
H -3.279842 0.792701 -2.153252
H 3.264168 -0.730876 -2.170300
H -0.825785 0.856380 -1.939491
H 0.809392 -0.696327 -1.955967
H -0.214242 -0.235209 2.633655
H 1.667286 1.193011 3.002155


