%chk=000084896.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000084896

0 1
 O  -0.2057000       2.474200      0.1029000    
 O    2.283600      -2.248100     -0.1193000    
 N   -2.574600       1.379300      0.1227000    
 N   4.1900001E-02  -3.584400     -0.1107000    
 C  -0.4476000      0.1179000      2.7400000E-02
 C   0.2030000      -1.116400     -3.0700000E-02
 C   -1.846200      0.1690000      6.2600002E-02
 C   -4.001900       1.421900      0.1583000    
 C  -0.5451000      -2.299600     -5.3300001E-02
 C   0.3294000       1.374000      5.2099999E-02
 C    1.804500       1.305600      1.3700000E-02
 C    2.455000      7.1400002E-02 -4.4900000E-02
 C    1.678100      -1.184800     -6.9399998E-02
 C   -2.587900      -1.012500      3.9400000E-02
 C   -1.938700      -2.244100     -1.8100001E-02
 C   -4.572400       1.217500      -1.242400    
 C   -4.455600       2.754500      0.7457000    
 C    2.552500       2.488900      3.6400001E-02
 C    3.853700      2.0199999E-02 -8.1000000E-02
 C    3.946100       2.433400      9.9999997E-05
 C    4.595300       1.201700     -5.8699999E-02
 C  -0.5676000      -4.739700      0.4671000    
 H   -4.413600      0.6691000      0.8406000    
 H   -2.060600       2.246600      2.8400000E-02
 H   -3.670300      -1.057500      6.6299997E-02
 H   -2.555400      -3.137700     -4.5699999E-02
 H   -5.667000       1.254900      -1.219700    
 H   -4.227200       2.004600      -1.923100    
 H   -4.285900      0.2612000      -1.688400    
 H   -4.053000       2.892800       1.755500    
 H   -5.547900       2.804000      0.8073000    
 H   -4.112000       3.597900      0.1359000    
 H    2.072700       3.462800      8.1900001E-02
 H    4.386000     -0.9261000     -0.1268000    
 H    1.032900      -3.633100     -0.3152000    
 H    4.525900       3.351700      1.7600000E-02
 H    5.680400       1.161500     -8.6900003E-02
 H   -1.423000      -5.083900     -0.1228000    
 H  -0.8862000      -4.557300       1.499000    
 H   0.1550000      -5.562200      0.4896000    


%chk=000084896-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000084896

0 1
O -0.315427 2.526329 0.039870
O 2.359753 -2.334108 0.050507
N -2.586282 1.331132 0.142155
N 0.139132 -3.612737 0.157581
C -0.465266 0.104639 0.092492
C 0.235796 -1.163098 0.098651
C -1.910732 0.134339 0.135645
C -4.051011 1.505631 0.146420
C -0.508379 -2.399956 0.148994
C 0.279625 1.365095 0.041593
C 1.760450 1.315653 -0.003798
C 2.448747 0.067770 -0.000433
C 1.699044 -1.209038 0.050649
C -2.618138 -1.121675 0.179607
C -1.946725 -2.334076 0.188972
C -4.653940 1.292251 -1.267009
C -4.372641 2.914588 0.688084
C 2.501346 2.525855 -0.051493
C 3.867644 0.047367 -0.045636
C 3.906824 2.496116 -0.096174
C 4.593146 1.251251 -0.093328
C -0.527238 -4.910931 0.205007
H -4.496890 0.762011 0.838970
H -1.945455 2.159912 0.099127
H -3.711349 -1.122158 0.209075
H -2.523710 -3.262971 0.225057
H -5.755638 1.380100 -1.236163
H -4.262801 2.053292 -1.966143
H -4.394677 0.296798 -1.669403
H -3.974814 3.047360 1.709564
H -5.464500 3.076327 0.713888
H -3.927761 3.692773 0.039953
H 1.944238 3.467522 -0.052292
H 4.366365 -0.926499 -0.041751
H 1.181214 -3.519354 0.121612
H 4.474319 3.432588 -0.133241
H 5.688022 1.230965 -0.128039
H -1.176134 -5.082605 -0.677721
H -1.148001 -5.029991 1.115879
H 0.242443 -5.699269 0.216673


