%chk=000093808.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000093808

0 1
 O   -5.689800     -0.3166000      -1.798400    
 O    1.114900      -2.292600      0.3651000    
 O    1.489900       2.330400      0.1903000    
 O   -3.144500      0.4648000       2.362300    
 N   -3.750000      0.4242000      0.1059000    
 N    1.304900      1.8999999E-02  0.2770000    
 C   -5.173100      0.6355000      0.3661000    
 C   -3.401100      0.3356000      -1.317200    
 C   -6.009700     -0.3746000     -0.4056000    
 C   -4.319000     -0.6544000      -2.024300    
 C   -2.848100      0.3902000       1.170700    
 C   -1.417500      0.2616000      0.8625000    
 C  -0.8348000     -0.9969000      0.7613000    
 C  -0.6406000       1.398800      0.6716000    
 C   0.5180000      -1.063500      0.4693000    
 C   0.7035000       1.225000      0.3836000    
 C    2.974800      -3.750400     -2.9200001E-02
 C    3.566500       3.436300     -0.2620000    
 C    2.505100      -2.305600      6.3900001E-02
 C    2.862200       2.096400     -0.1026000    
 C    4.467100      -3.839400     -0.3357000    
 C    5.045400       3.259700     -0.5944000    
 C    4.940700      -5.283100     -0.3851000    
 C    5.735200       4.599500     -0.7951000    
 H   -5.391900      0.5767000       1.436500    
 H   -5.402400       1.652800      2.7500000E-02
 H   -3.544200       1.341000      -1.730500    
 H   -2.357800      5.3800002E-02  -1.469800    
 H   -7.073900     -0.1450000     -0.2950000    
 H   -5.845600      -1.394800     -3.8699999E-02
 H   -4.138700      -1.679800      -1.679900    
 H   -4.139400     -0.6276000      -3.103500    
 H   -1.419000      -1.900200      0.9053000    
 H   -1.070800       2.392600      0.7445000    
 H    2.396200      -4.273200     -0.8011000    
 H    2.749700      -4.265100      0.9134000    
 H    3.451000       4.021200      0.6591000    
 H    3.067200       4.015600      -1.049000    
 H    3.062600      -1.790300      0.8562000    
 H    2.686400      -1.802800     -0.8945000    
 H    2.951800       1.523300      -1.034000    
 H    3.330500       1.535600      0.7162000    
 H    4.679300      -3.356600      -1.296700    
 H    5.037900      -3.301900      0.4305000    
 H    5.546000       2.713200      0.2133000    
 H    5.153800       2.661500      -1.506600    
 H    6.011600      -5.323300     -0.6074000    
 H    4.773900      -5.784000      0.5739000    
 H    4.411000      -5.843200      -1.162300    
 H    5.279200       5.156000      -1.620200    
 H    6.793500       4.449500      -1.030700    
 H    5.672000       5.212400      0.1096000    


%chk=000093808-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000093808

0 1
O -5.919687 0.686082 -1.712182
O 1.325725 -2.640681 0.320436
O 1.358434 2.078661 -0.084290
O -3.282517 -0.913597 1.967661
N -3.776251 0.542518 0.216548
N 1.359136 -0.283231 0.099923
C -5.186594 0.653978 0.660911
C -3.531156 1.106147 -1.130259
C -6.130124 0.051789 -0.396219
C -4.527112 0.495259 -2.142567
C -2.891979 -0.232811 0.964345
C -1.427353 -0.224043 0.584038
C -0.732751 -1.454741 0.583563
C -0.718164 0.980727 0.355237
C 0.658142 -1.425751 0.328002
C 0.675064 0.888913 0.125317
C 3.284500 -4.058498 0.182392
C 3.328382 3.426634 -0.486149
C 2.794650 -2.612696 0.090852
C 2.826755 1.993448 -0.306127
C 4.812556 -4.156639 -0.037488
C 4.855575 3.472597 -0.729263
C 5.330059 -5.607777 0.062762
C 5.380210 4.913566 -0.906205
H -5.280227 0.122837 1.622688
H -5.427077 1.725662 0.804288
H -3.671769 2.205015 -1.098272
H -2.498769 0.894111 -1.448491
H -7.184804 0.245730 -0.142368
H -5.961925 -1.043510 -0.475369
H -4.315153 -0.589438 -2.267790
H -4.446734 1.000784 -3.119165
H -1.240073 -2.394818 0.805067
H -1.197168 1.961416 0.390361
H 2.755229 -4.672650 -0.571375
H 3.020127 -4.469660 1.175463
H 3.072923 4.016832 0.414924
H 2.798002 3.894250 -1.338095
H 3.265413 -1.966190 0.855665
H 2.993844 -2.167495 -0.902648
H 3.019058 1.369057 -1.199341
H 3.292758 1.495614 0.565317
H 5.070613 -3.739347 -1.032209
H 5.334434 -3.526178 0.711177
H 5.379819 2.990483 0.120981
H 5.105173 2.875188 -1.629871
H 6.422683 -5.658189 -0.096088
H 5.112123 -6.037436 1.058344
H 4.847324 -6.254013 -0.694107
H 4.894995 5.409011 -1.767977
H 6.471782 4.926574 -1.078697
H 5.171800 5.523805 -0.007553


