%chk=000086253.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000086253

0 1
 O    4.127600     -0.5564000     -0.5344000    
 O   -2.993100       1.531800     -0.5320000    
 N    1.550000     -0.3067000      0.7341000    
 N   -1.261600     -0.5421000      0.2883000    
 N    6.058200      0.6220000     -0.2303000    
 N    5.992000      -1.344800      -1.589200    
 C   0.8600000      0.6237000     -0.1677000    
 C   0.6546000     -0.6956000       1.830700    
 C  -0.3915000     -2.0000000E-02 -0.7700000    
 C  -0.6028000      -1.384100       1.294800    
 C    2.771900      0.3004000       1.260500    
 C    3.719600      0.6364000      0.1247000    
 C   -2.615900     -0.7730000      2.2399999E-02
 C    5.020700       1.258400      0.5890000    
 C   -3.477300      0.2659000     -0.3873000    
 C   -3.160400      -2.066300      0.1586000    
 C    5.459600     -0.3909000     -0.7756000    
 C   -4.825300      2.1199999E-02 -0.6494000    
 C   -4.508400      -2.310700     -0.1035000    
 C   -5.340900      -1.267100     -0.5075000    
 C   -3.902800       2.603900     -0.2952000    
 C   -3.134300       3.793900      0.2387000    
 H    1.465100      0.9011000      -1.033300    
 H   0.5837000       1.547600      0.3579000    
 H   0.3669000      0.1818000       2.425700    
 H    1.165800      -1.393700       2.504700    
 H  -0.8941000      0.7228000      -1.397100    
 H  -0.1041000     -0.8471000      -1.432800    
 H  -0.3295000      -2.351000      0.8529000    
 H   -1.270300      -1.572800       2.145100    
 H    2.549200       1.201900       1.845600    
 H    3.260300     -0.4200000       1.929400    
 H    3.296000       1.315400     -0.6199000    
 H    5.018200       2.344200      0.4480000    
 H    5.228200       1.058500       1.646500    
 H   -2.544300      -2.911600      0.4543000    
 H   -5.502900      0.7953000     -0.9970000    
 H   -4.909100      -3.314700      1.5000000E-03
 H   -6.388500      -1.459800     -0.7193000    
 H    6.973100      -1.331400      -1.845900    
 H    5.423000      -2.096600      -1.962800    
 H   -4.395400       2.872800      -1.236000    
 H   -4.659200       2.343800      0.4560000    
 H   -3.801000       4.641100      0.4223000    
 H   -2.624300       3.536000       1.173000    
 H   -2.359400       4.101800     -0.4711000    


%chk=000086253-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000086253

0 1
O 4.335760 -0.567680 -0.760989
O -3.155070 1.577535 -0.073027
N 1.555851 -0.109471 0.476950
N -1.306827 -0.495765 0.280481
N 6.271829 0.326364 0.230000
N 6.308599 -1.816030 -0.873443
C 0.676609 0.964790 -0.044805
C 0.820990 -0.932878 1.464418
C -0.583436 0.367545 -0.688944
C -0.436567 -1.554566 0.830247
C 2.847468 0.391389 0.985870
C 3.869256 0.709464 -0.115956
C -2.677611 -0.792840 0.062217
C 5.197550 1.341900 0.444185
C -3.649405 0.255315 -0.114755
C -3.165153 -2.129538 0.079747
C 5.716705 -0.658398 -0.430815
C -5.017413 -0.048904 -0.286340
C -4.538021 -2.429379 -0.068933
C -5.468845 -1.390269 -0.260962
C -4.130941 2.680928 -0.134015
C -3.340275 3.979870 0.005621
H 1.222902 1.545828 -0.810629
H 0.369463 1.669158 0.770676
H 0.506407 -0.331464 2.355905
H 1.484946 -1.745775 1.812909
H -1.251622 1.177506 -1.013778
H -0.279667 -0.232425 -1.577526
H -0.118955 -2.278278 0.042503
H -0.989040 -2.108065 1.610319
H 2.718636 1.318744 1.605828
H 3.294151 -0.375662 1.646706
H 3.417925 1.306976 -0.925843
H 5.456116 2.281619 -0.078496
H 5.104898 1.572069 1.523244
H -2.453960 -2.953078 0.192490
H -5.746490 0.755912 -0.418863
H -4.868744 -3.473556 -0.048434
H -6.534593 -1.607955 -0.387084
H 7.299693 -1.956861 -0.707992
H 5.755310 -2.511651 -1.363020
H -4.675691 2.645183 -1.100312
H -4.866275 2.566807 0.688976
H -4.026929 4.845688 -0.018309
H -2.787575 3.996679 0.960367
H -2.614659 4.088516 -0.818987


