%chk=000085207.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000085207

0 1
 O   -1.919300       1.831300     -0.2920000    
 O    2.111400      -1.648400     -0.7367000    
 N   -3.700800     -7.4000001E-02 -0.3559000    
 N    3.893400      0.2582000     -0.6785000    
 C   -5.059800     -0.5810000     -0.3329000    
 C    5.182200      0.5902000     -0.1013000    
 C   -5.388200      -1.142900       1.053900    
 C   -6.040400      0.5237000     -0.7388000    
 C    5.045600      0.7882000       1.411700    
 C    6.205100     -0.5001000     -0.4357000    
 C   -5.534200     -5.2000001E-02   2.114900    
 C   -6.184100       1.608700      0.3285000    
 C    4.791800     -0.5211000       2.159300    
 C    5.947100      -1.804700      0.3184000    
 C   -6.535800       1.017100       1.689800    
 C    5.842000      -1.574800       1.822600    
 C   -2.571300     -0.9166000     -0.4704000    
 C    2.763300       1.099700     -0.5631000    
 C   -1.256800     -0.4354000     -0.4932000    
 C    1.448800      0.6184000     -0.5380000    
 C  -0.1899000      -1.329000     -0.6092000    
 C   0.3821000       1.511900     -0.4216000    
 C   -1.009800       1.017700     -0.3950000    
 C    1.201900     -0.8347000     -0.6354000    
 C   -2.813700      -2.287400     -0.5635000    
 C    3.005500       2.470800     -0.4717000    
 C  -0.4376000      -2.703800     -0.7022000    
 C   0.6296000       2.886800     -0.3298000    
 C   -1.749100      -3.179100     -0.6791000    
 C    1.941000       3.362300     -0.3552000    
 H   -5.190400      -1.359000      -1.094200    
 H    5.563100       1.511300     -0.5572000    
 H   -4.641400      -1.864000       1.400900    
 H   -6.337100      -1.691600      0.9903000    
 H   -7.026900      7.6499999E-02 -0.9175000    
 H   -5.726300      0.9850000      -1.683100    
 H    4.265400       1.506800       1.680300    
 H    5.985200       1.216800       1.786000    
 H    7.208200     -0.1380000     -0.1758000    
 H    6.210700     -0.7004000      -1.514100    
 H   -4.559300      0.4135000       2.304400    
 H   -5.858800     -0.5019000       3.060100    
 H   -6.965300       2.315500      2.5400000E-02
 H   -5.255300       2.185700      0.4082000    
 H    3.794600     -0.9040000       1.910900    
 H    4.797600     -0.3324000       3.238900    
 H    6.761200      -2.509700      0.1135000    
 H    5.027200      -2.276700     -4.5400001E-02
 H   -7.540600      0.5791000       1.648200    
 H   -6.566400       1.813800       2.441500    
 H    6.816700      -1.255200       2.211400    
 H    5.592800      -2.517200       2.323300    
 H   -3.542000      0.9133000     -0.2011000    
 H    3.714200     -0.7117000     -0.9084000    
 H   -3.799200      -2.737700     -0.5563000    
 H    4.001800       2.898700     -0.5084000    
 H   0.3732000      -3.421500     -0.7933000    
 H  -0.1812000       3.604600     -0.2396000    
 H   -1.939200      -4.246100     -0.7522000    
 H    2.131300       4.429700     -0.2890000    


%chk=000085207-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000085207

0 1
O -2.157266 1.767730 -0.203334
O 2.092591 -1.773346 -0.374296
N -3.834695 -0.215400 -0.423490
N 3.772482 0.215749 -0.204912
C -5.254651 -0.611726 -0.475388
C 5.190610 0.609739 -0.106870
C -5.771025 -1.110202 0.908162
C -6.098383 0.597150 -0.958737
C 5.617522 0.877631 1.368613
C 6.070519 -0.506784 -0.727258
C -5.815161 0.029371 1.953064
C -6.158961 1.738417 0.087119
C 5.606730 -0.417173 2.214843
C 6.077221 -1.802980 0.121254
C -6.668360 1.220831 1.453796
C 6.499581 -1.511806 1.581841
C -2.757904 -1.066347 -0.437169
C 2.693461 1.061709 -0.140920
C -1.408452 -0.526146 -0.361971
C 1.344112 0.520902 -0.216070
C -0.290796 -1.424000 -0.400716
C 0.226106 1.418126 -0.171097
C -1.179063 0.913915 -0.245872
C 1.114641 -0.919355 -0.332054
C -2.918130 -2.490998 -0.535747
C 2.852104 2.483960 -0.010798
C -0.485623 -2.814358 -0.506604
C 0.420050 2.807633 -0.053341
C -1.801713 -3.335583 -0.573137
C 1.735554 3.328299 0.026030
H -5.364352 -1.430848 -1.215757
H 5.340239 1.536889 -0.697574
H -5.131034 -1.936561 1.272199
H -6.790346 -1.524996 0.766033
H -7.127039 0.234856 -1.155540
H -5.694221 0.969373 -1.919499
H 4.949760 1.635992 1.820280
H 6.640528 1.307175 1.358731
H 7.106360 -0.119824 -0.799550
H 5.727776 -0.716896 -1.758403
H -4.782484 0.377214 2.155951
H -6.216433 -0.356835 2.909682
H -6.819670 2.543146 -0.288420
H -5.157214 2.195787 0.216136
H 4.566730 -0.792111 2.294069
H 5.945550 -0.192977 3.244467
H 6.766093 -2.537590 -0.337990
H 5.073164 -2.272981 0.114073
H -7.725091 0.895992 1.350876
H -6.654855 2.038731 2.199468
H 7.557074 -1.173478 1.595132
H 6.451281 -2.439099 2.184323
H -3.568057 0.788103 -0.342133
H 3.506428 -0.787243 -0.295033
H -3.922076 -2.921075 -0.584695
H 3.855295 2.913216 0.055601
H 0.393929 -3.462512 -0.533595
H -0.459853 3.455193 -0.023999
H -1.952545 -4.418067 -0.652414
H 1.885763 4.409670 0.120239


