%chk=000093840.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000093840

0 1
 O   -1.727200      0.7239000     -0.8990000    
 O    3.141100      0.3714000      0.2975000    
 O   -3.751300       1.838600      -1.036400    
 O    2.295800       2.518000      0.4626000    
 N  -0.3104000      0.1683000       1.063000    
 N   0.6324000      0.2767000      0.2513000    
 C   -1.572200      0.7688000      0.5519000    
 C    1.908400     -0.2783000      0.7504000    
 C   -2.729600      1.1800000E-02   1.258000    
 C    1.989300      -1.771800      0.3290000    
 C   -2.687500      -1.532900       1.194400    
 C    2.497300      -2.107300      -1.092100    
 C   -1.537500       2.236900       1.023900    
 C    1.939100     -0.1406000       2.280200    
 C   -3.819500      -2.208500       1.965200    
 C   -2.725200      -1.983000     -0.2701000    
 C    2.585800      -3.606900      -1.376000    
 C    1.573000      -1.451600      -2.125700    
 C   -2.798900       1.262500      -1.541600    
 C    3.194100       1.729600      0.2033000    
 C   -2.650800       1.033900      -3.015800    
 C    4.553900       2.140600     -0.2740000    
 H   -2.711600      0.2794000       2.324200    
 H   -3.702200      0.3490000      0.8841000    
 H    2.690000      -2.268900       1.015400    
 H    1.018500      -2.258400      0.4958000    
 H   -1.747400      -1.885800       1.635700    
 H    3.504100      -1.690200      -1.217300    
 H  -0.7909000       2.805300      0.4574000    
 H   -1.283000       2.310600       2.087400    
 H   -2.497500       2.740000      0.8781000    
 H    1.775400      0.8956000       2.598700    
 H    1.194300     -0.7733000       2.776200    
 H    2.922400     -0.4290000       2.671800    
 H   -4.797000      -1.929200       1.557900    
 H   -3.730500      -3.299100       1.920300    
 H   -3.796300      -1.913600       3.019500    
 H   -3.576400      -1.548800     -0.8047000    
 H   -2.818500      -3.073300     -0.3331000    
 H   -1.802700      -1.725600     -0.7970000    
 H    1.602800      -4.083200      -1.296000    
 H    3.256200      -4.093900     -0.6604000    
 H    2.975300      -3.794400      -2.382100    
 H   0.5298000      -1.750600      -1.978300    
 H    1.863200      -1.742500      -3.141500    
 H    1.633300     -0.3601000      -2.083500    
 H   -1.733500       1.507900      -3.374500    
 H   -2.637300     -3.8800001E-02  -3.224900    
 H   -3.500400       1.481100      -3.539700    
 H    5.311300       1.823500      0.4472000    
 H    4.749700       1.703200      -1.256300    
 H    4.592700       3.229900     -0.3647000    


%chk=000093840-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000093840

0 1
O -1.522026 0.832964 -0.873577
O 3.105152 0.392720 0.222460
O -3.560824 1.978111 -1.094988
O 2.312651 2.507411 0.863234
N -0.277239 0.177138 1.118002
N 0.727177 0.264808 0.330016
C -1.550216 0.805282 0.635632
C 1.988997 -0.323068 0.922323
C -2.727255 -0.037156 1.182106
C 2.138348 -1.808678 0.495957
C -2.707291 -1.562512 0.889706
C 2.299288 -2.123262 -1.015475
C -1.529478 2.249073 1.185888
C 2.119640 -0.155448 2.444971
C -3.743893 -2.262048 1.802972
C -2.981068 -1.913670 -0.593418
C 2.847041 -3.563834 -1.173541
C 0.988075 -1.953422 -1.818625
C -2.552676 1.431991 -1.599885
C 3.130306 1.794168 0.240838
C -2.267240 1.302881 -3.082197
C 4.280261 2.295249 -0.606961
H -2.700514 0.102323 2.280455
H -3.669484 0.413250 0.820448
H 3.030841 -2.187666 1.030638
H 1.261342 -2.350834 0.904774
H -1.700229 -1.944245 1.159733
H 3.051846 -1.420151 -1.421942
H -0.700088 2.808082 0.720070
H -1.360268 2.226717 2.275932
H -2.489369 2.744514 0.975032
H 1.958837 0.893878 2.736652
H 1.365013 -0.778328 2.952134
H 3.127074 -0.474541 2.762429
H -4.765609 -1.890119 1.592623
H -3.743996 -3.355355 1.636907
H -3.530176 -2.078924 2.872770
H -3.951546 -1.492254 -0.921001
H -3.029986 -3.010975 -0.726108
H -2.192424 -1.522987 -1.257588
H 2.146584 -4.303490 -0.738395
H 3.825158 -3.685169 -0.670909
H 2.979592 -3.817536 -2.241429
H 0.203932 -2.636627 -1.434878
H 1.154419 -2.200380 -2.884314
H 0.603056 -0.921423 -1.751223
H -1.248422 1.658815 -3.309117
H -2.317930 0.239967 -3.380335
H -3.009402 1.878879 -3.653684
H 5.193231 1.708833 -0.413216
H 4.027917 2.173084 -1.675942
H 4.456772 3.360862 -0.400255


