%chk=000086569.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000086569

0 1
 O    3.358700      -1.596800      0.3499000    
 O   0.5564000      0.3768000       2.386500    
 O    1.695900      2.3800001E-02  -2.090400    
 O    2.360700      -3.536800     -0.3775000    
 O   -6.056600     -0.3783000      0.9497000    
 O   -5.566300       1.199700     -0.4956000    
 N    1.093100     -0.2272000      0.1742000    
 N   -5.264500      0.1601000      0.1390000    
 C   0.9654000      -1.668600      0.2568000    
 C  -0.1340000      -2.186400     -0.6824000    
 C   0.8785000      0.6227000       1.239000    
 C    1.442500      0.4457000     -0.9775000    
 C    1.122800       1.969600      0.7246000    
 C    1.463800       1.862600     -0.6156000    
 C   -1.495100      -1.564700     -0.4650000    
 C    2.291800      -2.381900      3.0600000E-02
 C    1.053600       3.189600       1.365300    
 C    1.753600       2.970200      -1.385800    
 C   -2.373800      -2.154500      0.4275000    
 C   -1.834100     -0.4177000      -1.162800    
 C    1.343900       4.325800      0.6048000    
 C    1.690300       4.217200     -0.7575000    
 C   -3.629200      -1.580400      0.6284000    
 C   -3.089300      0.1565000     -0.9620000    
 C   -3.986900     -0.4249000     -6.6299997E-02
 C    4.645800      -2.200100      0.1836000    
 C    5.713000      -1.201800      0.5786000    
 H   0.6800000      -1.916200       1.288000    
 H   0.1578000      -2.051200      -1.732500    
 H  -0.2280000      -3.275600     -0.5695000    
 H   0.7867000       3.273400       2.412200    
 H    2.019500       2.887100      -2.433000    
 H   -2.102300      -3.052500      0.9748000    
 H   -1.156900      3.5500001E-02  -1.879000    
 H    1.302000       5.308200       1.067900    
 H    1.910700       5.117400      -1.325300    
 H   -4.302100      -2.060200       1.334500    
 H   -3.335100       1.054200      -1.523500    
 H    4.717300      -3.089500      0.8196000    
 H    4.780200      -2.489900     -0.8645000    
 H    6.712300      -1.630500      0.4623000    
 H    5.641400     -0.2985000     -3.6100000E-02
 H    5.581000     -0.8887000       1.619600    


%chk=000086569-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000086569

0 1
O 3.342165 -1.592878 0.301865
O 0.555089 0.220499 2.455368
O 1.687123 0.006118 -2.109254
O 2.343388 -3.635925 -0.206292
O -6.070567 -0.234791 1.080667
O -5.783472 1.020520 -0.801874
N 1.052968 -0.224674 0.173644
N -5.380864 0.140780 0.054779
C 0.914594 -1.678807 0.247244
C -0.140236 -2.251286 -0.749332
C 0.883514 0.623616 1.313487
C 1.454127 0.506864 -0.980050
C 1.175215 2.007479 0.829165
C 1.518427 1.937810 -0.543593
C -1.514048 -1.640215 -0.544363
C 2.257582 -2.418393 0.069906
C 1.146695 3.229820 1.516449
C 1.844370 3.089244 -1.274979
C -2.314740 -2.007009 0.570647
C -2.014760 -0.674743 -1.457195
C 1.475663 4.400986 0.785146
C 1.819154 4.331674 -0.588976
C -3.581744 -1.431327 0.776789
C -3.280812 -0.085803 -1.271570
C -4.047165 -0.473339 -0.151454
C 4.695463 -2.231478 0.176247
C 5.722777 -1.136073 0.434252
H 0.581698 -1.881311 1.287069
H 0.217231 -2.072833 -1.776876
H -0.160093 -3.343749 -0.588854
H 0.878167 3.271322 2.576515
H 2.107674 3.024778 -2.335288
H -1.944785 -2.755458 1.281175
H -1.406495 -0.390747 -2.323399
H 1.463422 5.374184 1.287090
H 2.067614 5.252602 -1.127030
H -4.210529 -1.704065 1.628229
H -3.681659 0.656173 -1.966986
H 4.751605 -3.055010 0.910479
H 4.772743 -2.661842 -0.837956
H 6.741490 -1.557268 0.355029
H 5.625173 -0.322821 -0.304685
H 5.601339 -0.709425 1.444363


