%chk=000056884.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000056884

0 1
 O   -3.988500      -2.069500       2.363700    
 O    5.198100     -0.6227000      -1.127500    
 O   -4.723000       3.312300     -0.6930000    
 N   0.4487000      -2.052400     -0.2796000    
 N    2.662400     -0.2806000      6.5499999E-02
 C   0.3493000     -0.6487000     -0.6973000    
 C    1.822100      -2.534500     -0.4714000    
 C    1.291900      0.2371000      0.1212000    
 C    2.813100      -1.712100      0.3556000    
 C  -0.4947000      -2.879500      -1.031000    
 C   -1.933600      -2.413200     -0.8072000    
 C   -2.308300      -2.475500      0.6764000    
 C    3.736800      0.5665000      0.3595000    
 C   -3.739200      -1.991900      0.9589000    
 C    5.001800      0.3921000     -0.2389000    
 C    3.579700       1.629400       1.272200    
 C   -4.002900     -0.5713000      0.5168000    
 C    6.064000       1.244400      6.2700003E-02
 C    4.641900       2.481700       1.574000    
 C   -5.033800     -0.3186000     -0.3730000    
 C   -3.207700      0.4502000       1.009600    
 C    5.884100       2.289200      0.9693000    
 C   -5.276400      0.9929000     -0.7815000    
 C   -3.450500       1.761600      0.6010000    
 C   -4.484800       2.033000     -0.2946000    
 C    4.946700     -0.3375000      -2.501800    
 C   -5.796900       3.517800      -1.609500    
 H  -0.6484000     -0.2344000     -0.5356000    
 H   0.5815000     -0.5437000      -1.765800    
 H    2.105500      -2.491300      -1.531800    
 H    1.898900      -3.581700     -0.1545000    
 H   0.9491000      0.2752000       1.163300    
 H    1.245600       1.253700     -0.2891000    
 H    3.821100      -2.086500      0.1542000    
 H    2.628500      -1.876500       1.425600    
 H  -0.4113000      -3.923900     -0.7044000    
 H  -0.2736000      -2.860900      -2.106100    
 H   -2.117800      -1.430000      -1.248200    
 H   -2.595500      -3.097100      -1.355300    
 H   -1.605200      -1.899200       1.289300    
 H   -2.211400      -3.509400       1.034300    
 H   -4.446900      -2.674300      0.4723000    
 H    2.631400       1.804200       1.774500    
 H    7.034800       1.100000     -0.4037000    
 H    4.503200       3.293400       2.282100    
 H   -3.848300      -2.992500       2.635800    
 H   -5.656100      -1.120600     -0.7593000    
 H   -2.403600      0.2587000       1.713600    
 H    6.711300       2.952200       1.205000    
 H   -6.095300       1.132400      -1.478900    
 H   -2.831500       2.567800      0.9850000    
 H    3.904900     -3.6300000E-02  -2.650900    
 H    5.132400      -1.247200      -3.079400    
 H    5.619800      0.4480000      -2.859500    
 H   -5.612400       3.015100      -2.565000    
 H   -5.843400       4.591800      -1.817400    
 H   -6.760000       3.235300      -1.170900    


%chk=000056884-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000056884

0 1
O -4.009212 -2.288889 2.468499
O 5.467111 -0.778134 -0.842657
O -4.783547 3.361849 -0.329134
N 0.427812 -1.963893 -0.483829
N 2.688516 -0.166339 -0.195539
C 0.351835 -0.552622 -0.929008
C 1.819781 -2.459921 -0.607495
C 1.301561 0.336672 -0.107414
C 2.783215 -1.595193 0.217759
C -0.541612 -2.852942 -1.170737
C -2.016518 -2.527799 -0.846321
C -2.318695 -2.549326 0.666438
C 3.744935 0.702310 0.200331
C -3.777752 -2.152813 1.010848
C 5.111378 0.394297 -0.116998
C 3.502528 1.921451 0.897579
C -4.098838 -0.711561 0.650418
C 6.163617 1.227913 0.306337
C 4.559148 2.770469 1.292200
C -4.879779 -0.397003 -0.482484
C -3.577556 0.354989 1.431063
C 5.899474 2.420927 1.017172
C -5.134899 0.944505 -0.855561
C -3.825105 1.693348 1.081686
C -4.600865 1.993154 -0.068277
C 5.053386 -0.753303 -2.263013
C -5.595198 3.723635 -1.492127
H -0.678188 -0.179512 -0.789879
H 0.610600 -0.455572 -2.015836
H 2.159035 -2.465638 -1.676509
H 1.860472 -3.500546 -0.234543
H 0.941728 0.360186 0.948620
H 1.262131 1.364851 -0.509360
H 3.819865 -1.938724 0.074891
H 2.520317 -1.692076 1.295849
H -0.320736 -3.888799 -0.844251
H -0.402543 -2.827327 -2.283878
H -2.294890 -1.541741 -1.263918
H -2.649993 -3.271612 -1.372335
H -1.620262 -1.871049 1.189870
H -2.122780 -3.572511 1.056241
H -4.469438 -2.829403 0.459742
H 2.477204 2.195567 1.163306
H 7.185171 0.929170 0.048171
H 4.331023 3.695927 1.833005
H -3.652898 -3.167224 2.760004
H -5.307302 -1.207161 -1.086654
H -3.003460 0.120317 2.333212
H 6.723744 3.066752 1.337230
H -5.747509 1.152356 -1.737972
H -3.439285 2.522864 1.682495
H 3.957977 -0.628495 -2.351087
H 5.367354 -1.723046 -2.679887
H 5.569265 0.069569 -2.794166
H -5.147103 3.344351 -2.431702
H -5.606024 4.823470 -1.504843
H -6.630595 3.341776 -1.396252


