%chk=000131930.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000131930

0 1
 O    2.648400      -1.520100      0.3998000    
 O   0.6889000     -0.3657000      0.8998000    
 O    4.659700       1.968700     -0.3901000    
 O    5.743500     -0.5374000      -1.312400    
 O    3.607600      -4.038400     -0.1223000    
 O  -0.9265000      -1.526300       2.863200    
 O   -3.343400      0.1286000       2.254600    
 O   -2.978100       2.067700      0.3770000    
 O    1.674900       3.227600       1.558300    
 O   -2.023100      0.4168000      -2.829800    
 O   -5.176800      -2.085700      -1.324600    
 N    1.734500       1.973800     -0.4019000    
 N   -4.596400     -1.6500000E-02 -0.4285000    
 C    2.563100      0.8895000      8.2999997E-02
 C    3.868800      0.8236000     -0.7152000    
 C    4.667300     -0.4390000     -0.3833000    
 C    1.802700     -0.4391000      1.0600000E-02
 C    3.774500      -1.679800     -0.4648000    
 C    4.503800      -2.946100     -2.7400000E-02
 C  -0.3043000      -1.332100      0.5706000    
 C   -1.453900      -1.220400       1.571300    
 C   -2.081600      0.1836000       1.574900    
 C   -2.329500      0.8026000      0.1842000    
 C    1.363500       3.050300      0.3835000    
 C   -3.194100     -4.1400000E-02 -0.7614000    
 C   0.5241000       4.043800     -0.3743000    
 C   -3.076600      0.4327000      -2.197800    
 C   -5.470800      -1.046000     -0.7405000    
 C   -6.870300     -0.7754000     -0.2566000    
 H    2.805700       1.093200       1.134600    
 H    3.669700      0.8760000      -1.792700    
 H    5.105300     -0.3459000      0.6177000    
 H    1.445000     -0.6049000      -1.015600    
 H    3.409700      -1.835700      -1.489200    
 H    1.419600       1.934300      -1.367300    
 H    5.372400      -3.146200     -0.6619000    
 H    4.827300      -2.869300       1.016100    
 H  -0.6385000      -1.200400     -0.4620000    
 H   0.1430000      -2.330100      0.6570000    
 H   -2.213400      -1.979700       1.356500    
 H   -1.463800      0.8697000       2.167800    
 H    4.852500       1.942100      0.5626000    
 H    5.364600     -0.6640000      -2.199000    
 H   -1.362500       1.021400     -0.2819000    
 H   -2.870000      -1.086700     -0.7761000    
 H    4.091300      -4.832000      0.1635000    
 H  -0.2242000     -0.8822000       3.057900    
 H   -3.712700       1.028400       2.257700    
 H  -0.2712000       3.530400     -0.9226000    
 H   6.6000000E-02   4.747900      0.3258000    
 H    1.156000       4.593300      -1.077300    
 H   -4.964200      0.8211000      1.3900000E-02
 H   -3.055600       2.495000     -0.4929000    
 H   -3.992800      0.8332000      -2.666200    
 H   -7.211500      0.1983000     -0.6195000    
 H   -7.546900      -1.547700     -0.6327000    
 H   -6.887600     -0.7841000      0.8367000    


%chk=000131930-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000131930

0 1
O 2.078119 -1.314070 0.579046
O 0.396342 -0.848328 -1.024218
O 4.214869 2.185721 -0.257693
O 5.486121 0.101532 1.000359
O 3.481200 -3.466184 1.979984
O -0.399151 -1.630845 1.628157
O -3.078983 -1.863876 -0.904222
O -1.837292 0.675255 1.580055
O 2.866146 3.342035 -2.122497
O -1.921050 2.616313 -1.422451
O -5.555403 -0.784224 -0.287097
N 1.601135 1.377043 -1.957217
N -4.456828 1.024285 0.677354
C 2.148697 0.774567 -0.717532
C 3.684511 0.856833 -0.487090
C 4.038018 0.107607 0.823886
C 1.792082 -0.733642 -0.743242
C 3.546628 -1.350822 0.838137
C 3.779258 -2.040326 2.171502
C -0.231683 -2.183047 -0.813336
C -1.110275 -2.172298 0.456307
C -2.421005 -1.358518 0.296172
C -2.140071 0.172636 0.233825
C 1.871812 2.619868 -2.482510
C -3.348256 0.979052 -0.285051
C 0.882836 3.103510 -3.531544
C -2.926975 2.387028 -0.711113
C -5.487321 0.106575 0.629845
C -6.549201 0.216018 1.710318
H 1.639804 1.223069 0.162163
H 4.198149 0.364148 -1.345740
H 3.548000 0.668348 1.650692
H 2.403225 -1.285787 -1.495985
H 4.039133 -1.937741 0.035723
H 0.717532 0.940022 -2.245922
H 4.838582 -1.871949 2.449847
H 3.121779 -1.589587 2.945168
H -0.874376 -2.373363 -1.687681
H 0.557667 -2.952292 -0.729874
H -1.395572 -3.226475 0.652375
H -3.037713 -1.544885 1.203069
H 3.832218 2.805625 -0.981141
H 5.780796 1.029164 0.787803
H -1.300797 0.367090 -0.456164
H -3.717683 0.464458 -1.196724
H 3.690676 -3.959785 2.811428
H 0.591332 -1.618594 1.447709
H -4.058965 -1.635158 -0.839499
H -0.076581 3.359870 -3.044800
H 1.291361 3.995916 -4.025815
H 0.679293 2.326130 -4.289806
H -4.282464 1.530540 1.549445
H -1.177522 0.007959 1.947755
H -3.598361 3.214196 -0.368202
H -6.370128 1.047083 2.412485
H -7.532685 0.359177 1.230673
H -6.597877 -0.731581 2.273684


