%chk=000048097.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000048097

0 1
 O    5.786800      -1.128300      6.4300001E-02
 O   0.2489000       4.190700      0.7927000    
 N    3.142700     -0.1321000      0.4070000    
 N  -0.5513000       2.265200     -0.2148000    
 C  -0.7481000     -0.1827000      0.1039000    
 C   0.7227000     -0.5336000      0.5588000    
 C    1.841000      0.2917000     -0.1050000    
 C  -0.9335000       1.312400      0.5861000    
 C   -1.795300      -1.111100      0.7905000    
 C  -0.9611000     -0.3578000      -1.432200    
 C    3.396600      -1.542800      8.3300002E-02
 C    4.216800      0.7105000     -0.1369000    
 C   -1.479400       1.564200       2.003300    
 C    4.764500      -1.958200      0.6171000    
 C    5.565800      0.2417000      0.4010000    
 C   -3.112200     -0.8748000      0.5321000    
 C   -1.845500      0.4780000      -2.043100    
 C   -1.325400      -2.098300       1.603500    
 C  -0.2479000      -1.334300      -2.058200    
 C  -0.4072000       1.582800       3.080700    
 C   -4.049400      -1.705600       1.146200    
 C   -2.035700      0.3218000      -3.416100    
 C   -2.262700      -2.929100       2.217500    
 C  -0.4381000      -1.490300      -3.431200    
 C   -3.624600      -2.732700       1.988800    
 C   -1.332000     -0.6622000      -4.110100    
 C  -0.6118000       3.583100      0.1609000    
 C   -1.924500       4.231400     -0.1900000    
 H   0.8896000      -1.591100      0.3556000    
 H   0.8274000     -0.4089000       1.642600    
 H    1.807700      0.2185000      -1.197000    
 H    1.716100       1.346100      0.1565000    
 H    3.360000      -1.702200      -1.002100    
 H    2.688500      -2.223800      0.5598000    
 H    4.064400       1.756800      0.1518000    
 H    4.223700      0.6573000      -1.233500    
 H   -1.984100       2.535000       2.015800    
 H   -2.255100      0.8525000       2.283400    
 H    4.805100      -1.908200       1.712200    
 H    4.981700      -2.990700      0.3247000    
 H    5.633200      0.3668000       1.488700    
 H    6.371600      0.8293000     -5.0400000E-02
 H   -3.482000     -6.4900003E-02 -8.1400000E-02
 H   -2.427000       1.240600      -1.539800    
 H  -0.2911000      -2.303400       1.838000    
 H   0.4317000      -2.018000      -1.568500    
 H   0.4824000       2.131100       2.756800    
 H  -0.7927000       2.056300       3.989400    
 H  -0.1028000      0.5676000       3.348900    
 H   -5.110300      -1.546900      0.9763000    
 H   -2.735500      0.9630000      -3.944300    
 H   -1.933500      -3.727300       2.876700    
 H   0.1042000      -2.261200      -3.971000    
 H   -4.354500      -3.377700       2.469200    
 H   -1.482200     -0.7856000      -5.178600    
 H   -2.767800       3.616800      0.1336000    
 H   -1.994900       5.206200      0.3010000    
 H   -1.973900       4.377800      -1.272500    


%chk=000048097-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000048097

0 1
O 5.962641 -0.796903 -0.015614
O 0.507793 4.010130 1.214333
N 3.133368 -0.156505 0.223398
N -0.532213 2.262076 0.070847
C -0.807731 -0.175504 0.199805
C 0.692930 -0.522596 0.559217
C 1.774842 0.250158 -0.223192
C -1.044370 1.269055 0.738264
C -1.782180 -1.169363 0.898051
C -1.026005 -0.326609 -1.336430
C 3.589283 -1.436502 -0.378073
C 4.149400 0.902862 -0.014872
C -1.746204 1.505303 2.077271
C 4.950649 -1.840843 0.212116
C 5.501574 0.472746 0.575192
C -3.139297 -1.219692 0.476575
C -1.665623 0.639202 -2.151720
C -1.386703 -2.019421 1.961712
C -0.642396 -1.553573 -1.943020
C -0.775315 1.380023 3.287816
C -4.068183 -2.079343 1.097734
C -1.897101 0.395807 -3.526185
C -2.313531 -2.889912 2.582334
C -0.865240 -1.798975 -3.313221
C -3.659092 -2.922748 2.157798
C -1.494757 -0.820693 -4.117791
C -0.372944 3.614375 0.390687
C -1.206999 4.568892 -0.456911
H 0.829855 -1.608954 0.400932
H 0.875433 -0.337940 1.632844
H 1.640063 0.104574 -1.321081
H 1.662453 1.329905 -0.028913
H 3.682497 -1.350389 -1.490946
H 2.852960 -2.233335 -0.161829
H 3.813942 1.836367 0.474356
H 4.279945 1.111398 -1.106898
H -2.157749 2.532596 2.069901
H -2.586570 0.803328 2.204357
H 4.840211 -2.023871 1.303228
H 5.345842 -2.745789 -0.279107
H 5.405553 0.358296 1.676613
H 6.290362 1.207872 0.344783
H -3.465679 -0.590269 -0.359084
H -1.970945 1.597866 -1.726968
H -0.351725 -2.020568 2.316361
H -0.177436 -2.337803 -1.334617
H 0.096950 2.042077 3.153920
H -1.301190 1.676515 4.212908
H -0.425642 0.342024 3.419881
H -5.107470 -2.098235 0.750532
H -2.392654 1.162632 -4.132816
H -1.980019 -3.539996 3.399282
H -0.554756 -2.754569 -3.750821
H -4.376340 -3.596950 2.638835
H -1.671604 -1.006607 -5.182956
H -2.280474 4.307992 -0.411409
H -1.058164 5.599292 -0.100415
H -0.894245 4.502494 -1.514990


