%chk=000133989.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000133989

0 1
 O    5.491700       1.225500      -2.183800    
 O   -4.132600      0.5978000      -2.017700    
 O   -7.654900       1.769100     -0.9549000    
 O   -6.275300       2.625500      0.6307000    
 O   -5.420200      -3.813500     -0.1439000    
 O   -7.245000      -2.693500     -0.8943000    
 N    1.741600      0.8432000      0.5057000    
 N    5.295300     -0.8919000       2.047100    
 N    7.057300      -1.301900      0.4483000    
 N    7.156400     -0.2646000      -1.667100    
 N    8.789500      -1.808800     -0.9757000    
 N   -4.670200      0.3823000      0.2275000    
 C    3.729200      0.9570000       1.778700    
 C    4.092200      0.9873000      0.2805000    
 C    2.247100       1.347100       1.781400    
 C    2.822000      0.4506000     -0.3985000    
 C    3.969400     -0.4272000       2.398400    
 C    5.335000      0.2024000     -5.3700000E-02
 C    5.894700     -0.6646000      0.8210000    
 C   0.4030000      0.7687000      0.1814000    
 C    5.993800      0.4345000      -1.389300    
 C  -0.6133000       1.163800       1.094400    
 C  -3.7599999E-02  0.2938000      -1.084700    
 C    7.643500      -1.084600     -0.7740000    
 C   -1.967000       1.089900      0.7663000    
 C   -1.391300      0.2199000      -1.413000    
 C   -2.355900      0.6180000     -0.4875000    
 C   -3.767500      0.5421000     -0.8300000    
 C   -6.099600      0.2674000      4.7300000E-02
 C   -6.762500     -0.6116000       1.114900    
 C   -6.230300      -2.046200       1.224000    
 C   -6.666400       1.670300     -2.7799999E-02
 C   -6.372000      -2.848000     -5.1700000E-02
 H    4.323400       1.695000       2.332800    
 H    4.234200       2.039600     -3.5999999E-03
 H    2.139600       2.437600       1.813300    
 H    1.733800      0.9105000       2.645000    
 H    2.843000     -0.6402000     -0.5094000    
 H    2.716200      0.9079000      -1.389000    
 H    3.231900      -1.156900       2.043800    
 H    3.872300     -0.3741000       3.488300    
 H    5.749600      -1.570000       2.649500    
 H    7.459000      -1.947100       1.119200    
 H  -0.3568000       1.551800       2.077400    
 H   0.6784000     -3.4200002E-02  -1.834700    
 H   -2.681500       1.443200       1.503700    
 H   -1.674200     -0.1561000      -2.392800    
 H    9.148900      -2.439000     -0.2671000    
 H    9.312600      -1.733300      -1.841300    
 H   -6.255900     -0.1880000     -0.9383000    
 H   -4.330700      0.3258000       1.181600    
 H   -6.649900     -0.1311000       2.095800    
 H   -7.842100     -0.6447000      0.9189000    
 H   -5.171300      -2.017200       1.504600    
 H   -6.770300      -2.581500       2.012700    
 H   -8.009500       2.681700      -1.014900    
 H   -5.518900      -4.346900     -0.9613000    


%chk=000133989-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000133989

0 1
O 5.314380 0.095463 -2.586467
O -4.241504 -0.681919 -1.415740
O -8.087184 1.796622 0.704105
O -6.122870 2.399269 1.780580
O -6.185870 -3.468679 -1.714083
O -7.516360 -1.569976 -1.784624
N 1.812582 0.843121 0.354211
N 5.590676 -0.257913 2.231707
N 7.276292 -1.125685 0.789298
N 7.201027 -0.915906 -1.611178
N 9.006271 -1.994601 -0.573943
N -4.718120 0.382236 0.590055
C 3.894135 1.383286 1.393136
C 4.166092 0.898141 -0.061837
C 2.386456 1.724806 1.391685
C 2.846238 0.186091 -0.477782
C 4.216757 0.251886 2.406728
C 5.406674 0.046144 -0.189931
C 6.070520 -0.413550 0.934796
C 0.450556 0.649815 0.185678
C 5.935732 -0.254533 -1.533166
C -0.505429 1.375130 0.969138
C -0.049014 -0.281190 -0.783358
C 7.799256 -1.317439 -0.504163
C -1.882803 1.159062 0.802695
C -1.426683 -0.477673 -0.940836
C -2.375387 0.222238 -0.146662
C -3.823765 -0.054219 -0.383871
C -6.167529 0.362892 0.374712
C -6.880743 -0.900514 0.960321
C -6.384329 -2.211059 0.324840
C -6.744464 1.618049 1.021124
C -6.762038 -2.331779 -1.139482
H 4.509686 2.268022 1.635616
H 4.286247 1.777000 -0.723487
H 2.218864 2.796502 1.153075
H 1.917502 1.529408 2.378770
H 2.894268 -0.904077 -0.273578
H 2.657704 0.317901 -1.557319
H 3.493187 -0.576320 2.269107
H 4.111436 0.617192 3.443307
H 6.252884 -0.157396 3.001700
H 7.619954 -1.683008 1.574078
H -0.168933 2.127768 1.688673
H 0.648692 -0.847191 -1.407494
H -2.569446 1.769199 1.403306
H -1.808016 -1.181088 -1.688611
H 9.628433 -2.100708 0.223508
H 9.363681 -2.163208 -1.512032
H -6.368355 0.379984 -0.713240
H -4.390453 0.913178 1.400272
H -6.705355 -0.939706 2.052476
H -7.965529 -0.785921 0.787732
H -5.288723 -2.312651 0.402860
H -6.819229 -3.079109 0.858271
H -8.430254 2.615901 1.154068
H -6.405896 -3.486691 -2.684542


