%chk=000093274.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000093274

0 1
 O    1.093600     -0.8173000       1.582800    
 O    3.413100      -1.739100      -1.528100    
 O   -2.817700     -0.7991000      -1.396000    
 O    5.113600      0.3357000       1.438600    
 O    7.311400       4.769300      0.3794000    
 O    8.008600       3.401500      -1.294500    
 O   -9.727400       1.450600      0.6855000    
 O   -9.615100      6.4999998E-02  -1.013400    
 N    2.718700      -2.729000      0.4526000    
 N  -0.3550000      -1.043000     -0.2160000    
 N    5.776500      -1.079700     -0.2812000    
 N   -3.461300      0.6254000      0.3547000    
 N   -9.065400      0.7446000     -0.1131000    
 C    1.307600      -2.757600      0.1465000    
 C    5.070500      -2.260300      0.1616000    
 C   -1.121300      0.1569000      2.7000001E-02
 C   0.7021000      -1.433700      0.5939000    
 C    3.664900      -2.214900     -0.4230000    
 C   0.6173000      -3.928900      0.8280000    
 C    5.794700      -3.528800     -0.2617000    
 C  -0.5157000       1.347300     -0.7004000    
 C   -2.558400     -8.7700002E-02 -0.4295000    
 C    5.736900      0.1273000      0.4013000    
 C    6.568900       1.189300     -0.2952000    
 C    6.540400       2.526300      0.4381000    
 C   -4.871500      0.6538000      0.2383000    
 C   -5.628200       1.431600       1.114600    
 C   -5.504600     -9.3800001E-02 -0.7547000    
 C   -7.017800       1.461900      0.9983000    
 C   -6.894200     -6.3600004E-02 -0.8712000    
 C    7.365700       3.576100     -0.2686000    
 C   -7.650900      0.7141000      5.2999998E-03
 H    1.197900      -2.858200     -0.9399000    
 H    5.013500      -2.226700       1.256100    
 H   -1.109000      0.3530000       1.105800    
 H    3.012500      -3.044700       1.372600    
 H  -0.6022000      -1.614200      -1.019200    
 H   0.7005000      -3.859500       1.918600    
 H  -0.4489000      -3.954400      0.5792000    
 H    1.065400      -4.879300      0.5195000    
 H    6.270800      -1.125200      -1.168000    
 H    5.262100      -4.418900      8.9500003E-02
 H    6.811100      -3.552600      0.1453000    
 H    5.870700      -3.598000      -1.352900    
 H  -0.4992000       1.182700      -1.783800    
 H   0.5152000       1.524600     -0.3757000    
 H   -1.094700       2.257700     -0.5133000    
 H    7.600300      0.8240000     -0.3721000    
 H    6.186200       1.312300      -1.315900    
 H   -3.083500       1.199800       1.105000    
 H    5.509100       2.890900      0.5070000    
 H    6.936900       2.404600       1.452500    
 H   -5.146900       2.019200       1.892400    
 H   -4.988500     -0.7212000      -1.467500    
 H   -7.574900       2.079200       1.698400    
 H   -7.354500     -0.6589000      -1.655800    
 H    7.844700       5.456100     -7.4600004E-02


%chk=000093274-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000093274

0 1
O -0.074068 -3.404214 2.973836
O 2.074052 -1.812825 -0.747202
O -1.520823 -0.368477 -0.633380
O 6.247359 0.518290 0.241719
O 6.315718 5.339635 -1.509361
O 6.297597 3.829812 -3.271260
O -8.387040 3.006379 -1.453783
O -7.034486 3.058250 -3.292399
N 2.678693 -3.169672 1.033855
N -0.220091 -2.061280 1.077939
N 4.322339 -0.374897 -0.689634
N -3.303588 -0.097979 0.877963
N -7.281154 2.731812 -2.066395
C 1.398999 -3.922220 1.039539
C 4.358993 -1.581895 0.142744
C -1.246829 -1.195701 1.664868
C 0.303114 -3.111695 1.795344
C 2.943426 -2.188966 0.111986
C 1.595421 -5.305138 1.672489
C 5.425094 -2.597257 -0.355112
C -0.631086 -0.117025 2.603267
C -2.025167 -0.528952 0.513825
C 5.284904 0.604913 -0.588685
C 5.137438 1.778265 -1.563790
C 5.753209 3.061552 -0.979724
C -4.255556 0.609494 0.101934
C -5.492835 0.937809 0.727506
C -4.022392 0.988039 -1.250898
C -6.486654 1.632275 0.023447
C -5.018599 1.684654 -1.956412
C 6.131412 4.059245 -2.051932
C -6.238094 2.000755 -1.318205
H 1.089683 -4.012258 -0.018578
H 4.624484 -1.281362 1.176446
H -1.915149 -1.840381 2.270015
H 3.369683 -3.396793 1.752636
H 0.169322 -1.814283 0.152526
H 1.838737 -5.214546 2.745528
H 0.661816 -5.887082 1.605034
H 2.394488 -5.860278 1.150578
H 3.511595 -0.291468 -1.314721
H 5.486906 -3.478201 0.309567
H 6.408420 -2.099442 -0.362425
H 5.186191 -2.941866 -1.376053
H 0.055592 0.536386 2.038066
H -0.070559 -0.623669 3.406219
H -1.411387 0.512501 3.069071
H 5.675192 1.524329 -2.498409
H 4.078942 1.932651 -1.843109
H -3.595618 -0.324292 1.832813
H 5.089352 3.550729 -0.246406
H 6.670238 2.782811 -0.420947
H -5.673909 0.645818 1.769201
H -3.074549 0.729201 -1.724453
H -7.442314 1.893455 0.484474
H -4.865908 1.986273 -2.995970
H 6.604050 5.961284 -2.232089


