%chk=000058975.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000058975

0 1
 O    1.062300     -0.3729000      -1.517700    
 O    5.850100      0.1184000     -0.5794000    
 O    4.007500       1.515800     -5.6299999E-02
 N    2.350600     -0.7290000      0.3773000    
 C   -3.916300      8.8500001E-02 -0.3251000    
 C   -2.657400     -0.1719000      0.5078000    
 C   -5.209200      2.4200000E-02  0.4911000    
 C   -1.370000     -0.1807000     -0.3239000    
 C   -6.437300      0.2183000     -0.4011000    
 C  -0.1275000     -0.4315000      0.5324000    
 C   -7.731800      0.1164000      0.4054000    
 C    1.147300     -0.5035000     -0.2917000    
 C    3.628200     -0.8316000     -0.3183000    
 C    4.621800      0.2350000      0.1446000    
 C   -8.953300      0.3420000     -0.4710000    
 C    2.427300     -0.8803000       1.828400    
 C    6.483100      -1.141700     -0.4051000    
 C    4.824700       2.584500      0.4028000    
 H   -3.835300       1.072900     -0.8023000    
 H   -3.964700     -0.6518000      -1.133500    
 H   -2.758800      -1.136900       1.019600    
 H   -2.579700      0.5945000       1.288800    
 H   -5.273500     -0.9470000      0.9966000    
 H   -5.189600      0.7948000       1.271000    
 H   -1.449100     -0.9545000      -1.097900    
 H   -1.268300      0.7785000     -0.8468000    
 H   -6.440900     -0.5387000      -1.194800    
 H   -6.383000       1.198700     -0.8898000    
 H  -2.2500001E-02  0.3677000       1.274500    
 H  -0.2545000      -1.386800       1.053700    
 H   -7.801700     -0.8721000      0.8742000    
 H   -7.727400      0.8587000       1.212100    
 H    4.000000      -1.847300     -0.1485000    
 H    3.465200     -0.7347000      -1.398000    
 H    4.840000      0.1260000       1.214300    
 H   -9.005100     -0.4033000      -1.271200    
 H   -8.930100       1.336400     -0.9283000    
 H   -9.867500      0.2638000      0.1256000    
 H    1.478800      -1.186600       2.270100    
 H    3.174000      -1.639700       2.080300    
 H    2.715000      8.0399998E-02   2.265200    
 H    6.484600      -1.448600      0.6454000    
 H    7.521500      -1.043800     -0.7346000    
 H    6.010900      -1.903100      -1.031900    
 H    5.056000       2.463800       1.465500    
 H    4.271100       3.518300      0.2719000    
 H    5.747600       2.646700     -0.1810000    


%chk=000058975-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000058975

0 1
O 1.094186 -0.884704 -1.562273
O 5.661532 -0.106056 -0.876985
O 3.838084 1.214842 0.007391
N 2.301873 -1.143116 0.411846
C -3.943886 -0.049459 -0.361287
C -2.705107 -0.396096 0.494959
C -5.252410 0.028045 0.457133
C -1.403951 -0.479034 -0.332694
C -6.491765 0.374038 -0.398524
C -0.177980 -0.820242 0.536648
C -7.800469 0.451352 0.420800
C 1.109927 -0.944521 -0.293618
C 3.569647 -1.151862 -0.333836
C 4.551111 -0.039331 0.078950
C -9.033407 0.796608 -0.442293
C 2.387754 -1.211992 1.876941
C 7.001635 -0.085357 -0.278432
C 4.665970 2.386514 0.309641
H -3.773676 0.919819 -0.874737
H -4.057115 -0.808175 -1.163484
H -2.879766 -1.364617 1.010861
H -2.591371 0.365923 1.295405
H -5.421651 -0.942292 0.970171
H -5.138330 0.787139 1.259705
H -1.505926 -1.238549 -1.129924
H -1.223026 0.479955 -0.854217
H -6.607710 -0.384523 -1.200940
H -6.324541 1.344223 -0.911950
H -0.043118 -0.046341 1.319481
H -0.363194 -1.774676 1.074063
H -7.966254 -0.518235 0.933873
H -7.683446 1.209967 1.221797
H 4.090550 -2.121613 -0.207101
H 3.327164 -1.019090 -1.401034
H 4.964714 -0.176131 1.110548
H -9.189402 0.036566 -1.231244
H -8.904738 1.775258 -0.942405
H -9.955293 0.846434 0.166258
H 1.448404 -1.584147 2.312268
H 3.190321 -1.917096 2.164781
H 2.614240 -0.222952 2.324906
H 7.195147 0.849043 0.286464
H 7.703994 -0.148720 -1.124228
H 7.162961 -0.953876 0.392389
H 5.162542 2.287225 1.300242
H 3.977814 3.245227 0.327915
H 5.431060 2.540930 -0.473828


