%chk=000093321.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000093321

0 1
 O   -4.309900      0.8234000      0.3403000    
 O   -2.707300     -0.8721000      0.3652000    
 O   -7.381900      -1.902300      0.3492000    
 O   -7.894600      0.8392000     -0.4102000    
 O   -4.676900      -2.716200     -0.4882000    
 O   -4.644200       3.524200     -4.7300000E-02
 C   -6.405700      -1.049400     -0.2507000    
 C   -6.689500      0.3838000      0.1992000    
 C   -5.007600      -1.496800      0.1761000    
 C   -5.540100       1.314500     -0.1950000    
 C   -3.953600     -0.4515000     -0.1888000    
 C   -5.745900       2.726100      0.3454000    
 C   -1.609900     -0.2416000     -0.2795000    
 C  -0.3009000     -0.7124000      0.3427000    
 C   0.9212000     -7.7699997E-02 -0.3295000    
 C    2.222500     -0.5867000      0.2959000    
 C    3.477700      3.7999999E-02 -0.3216000    
 C    4.776900     -0.4533000      0.3210000    
 C    6.032500      0.1805000     -0.2876000    
 C    7.372100     -0.3348000      0.2506000    
 C    8.585100      0.3780000     -0.3526000    
 C    9.918400     -7.6499999E-02  0.2503000    
 C    11.13080      0.6523000     -0.3307000    
 C    12.43060      0.1114000      0.2458000    
 H   -6.536000      -1.151700      -1.334500    
 H   -6.843700      0.4055000       1.285000    
 H   -4.983200      -1.706400       1.252100    
 H   -5.443100       1.380600      -1.287200    
 H   -3.858700     -0.3868000      -1.282000    
 H   -6.663100       3.176300     -4.5800000E-02
 H   -5.781900       2.723300       1.439900    
 H   -1.617800     -0.4954000      -1.346300    
 H   -1.697800      0.8464000     -0.1778000    
 H  -0.2433000      -1.806000      0.2744000    
 H  -0.3063000     -0.4795000       1.414800    
 H   0.9155000     -0.3094000      -1.401200    
 H   0.8682000       1.013300     -0.2323000    
 H    2.274600      -1.677200      0.1878000    
 H    2.211900     -0.3753000       1.372500    
 H    3.498700     -0.1845000      -1.395500    
 H    3.420200       1.129300     -0.2253000    
 H    4.839800      -1.543200      0.2144000    
 H    4.755400     -0.2411000       1.396900    
 H    6.014200      2.4499999E-02  -1.373900    
 H    5.983400       1.265800     -0.1316000    
 H   -7.279900      -1.846600       1.314700    
 H   -7.763500      0.8368000      -1.373800    
 H   -4.692600      -2.551500      -1.446400    
 H    7.449000      -1.411400      5.5900000E-02
 H    7.386000     -0.2085000       1.340100    
 H    8.478000       1.459300     -0.2022000    
 H    8.600600      0.2091000      -1.436300    
 H    9.893200      7.6499999E-02   1.336500    
 H    10.03070      -1.155600      8.6099997E-02
 H   -4.793800       4.416000      0.3103000    
 H    11.05580       1.724800     -0.1180000    
 H    11.14570      0.5368000      -1.420600    
 H    12.54860     -0.9528000      1.7700000E-02
 H    13.28510      0.6467000     -0.1799000    
 H    12.45900      0.2355000       1.333000    


%chk=000093321-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000093321

0 1
O -4.283586 0.781422 0.315016
O -2.718822 -0.932963 -0.010593
O -7.487169 -1.944548 0.199375
O -7.989795 0.950463 0.055177
O -4.860246 -2.690910 -0.941085
O -4.903294 3.667475 -0.294651
C -6.465479 -0.963851 -0.249899
C -6.680996 0.403331 0.419627
C -5.045532 -1.535773 -0.063953
C -5.580707 1.372029 -0.069556
C -3.992308 -0.474054 -0.430381
C -5.681100 2.754489 0.556998
C -1.589356 -0.130151 -0.545202
C -0.303321 -0.705009 0.049589
C 0.958079 0.021522 -0.471340
C 2.264213 -0.536153 0.137614
C 3.534113 0.165417 -0.394129
C 4.840435 -0.388608 0.217848
C 6.112957 0.296570 -0.329378
C 7.418956 -0.256767 0.284069
C 8.692983 0.415969 -0.275346
C 9.998965 -0.136866 0.338688
C 11.273428 0.529641 -0.228343
C 12.573278 -0.027057 0.391960
H -6.677889 -0.869254 -1.330977
H -6.597916 0.292235 1.526008
H -4.884558 -1.809349 1.003639
H -5.654959 1.478099 -1.174042
H -4.026034 -0.251956 -1.524493
H -6.749285 3.049042 0.587884
H -5.271794 2.714033 1.588202
H -1.588296 -0.210561 -1.654009
H -1.731995 0.930103 -0.261032
H -0.247432 -1.783386 -0.194913
H -0.356524 -0.627666 1.152651
H 1.005959 -0.064514 -1.577164
H 0.884070 1.105926 -0.245623
H 2.330532 -1.623770 -0.073990
H 2.224519 -0.436533 1.242372
H 3.574391 0.060478 -1.498713
H 3.466110 1.254301 -0.188182
H 4.900768 -1.480126 0.023745
H 4.806867 -0.271412 1.321376
H 6.147126 0.175893 -1.432580
H 6.052841 1.388724 -0.138713
H -7.353043 -2.119047 1.168790
H -8.644475 0.203608 0.081420
H -5.662832 -3.268583 -0.846556
H 7.473216 -1.350786 0.102462
H 7.390046 -0.126782 1.386337
H 8.638909 1.510398 -0.095883
H 8.722148 0.283748 -1.377421
H 9.974473 0.000778 1.440186
H 10.051551 -1.232208 0.164495
H -4.912603 4.573049 0.104049
H 11.219191 1.624166 -0.055762
H 11.297665 0.390094 -1.328566
H 12.665005 -1.114555 0.209442
H 13.468812 0.463559 -0.032210
H 12.588440 0.130337 1.487162


