%chk=000059194.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000059194

0 1
 O  -0.5827000      0.4064000     -0.3336000    
 O   -1.782600      -1.267200      -1.362200    
 N   -5.186300       1.142500     -0.6291000    
 C   0.6483000     -0.2307000     -0.7229000    
 C    1.841300      0.6077000     -0.4097000    
 C   0.7029000      -1.629200     -0.1183000    
 C    2.943100      0.6011000      -1.265200    
 C    1.855100       1.398900      0.7390000    
 C    4.072500       2.176400      0.1767000    
 C    1.390400      -2.617100     -0.7906000    
 C   6.3299999E-02  -1.860100       1.081000    
 C    4.058700       1.385300     -0.9719000    
 C    2.970800       2.183200       1.032300    
 C    1.440700      -3.896700     -0.2375000    
 C   0.1137000      -3.139700       1.634100    
 C   -1.712900     -0.2281000     -0.7244000    
 C    5.265000       3.015500      0.4897000    
 C   0.8024000      -4.157900      0.9748000    
 C   -2.906100      0.5267000     -0.2645000    
 C   -2.843200       1.268900      0.8900000    
 C   -4.065100      0.4800000     -0.9919000    
 C   -3.976600       1.964600       1.295900    
 C   -5.112700       1.869400      0.5084000    
 H   0.5911000     -0.3273000      -1.817800    
 H    2.947100     -8.3999997E-03  -2.164900    
 H    1.010600       1.414300       1.422700    
 H    1.887600      -2.424300      -1.736200    
 H  -0.4541000      -1.081500       1.632300    
 H    4.910100       1.373100      -1.647300    
 H    2.969600       2.795700       1.930100    
 H    1.976500      -4.689700     -0.7510000    
 H  -0.3773000      -3.341700       2.581600    
 H    5.390200       3.136600       1.571100    
 H    6.183400       2.554100      0.1110000    
 H    5.157000       4.005700      3.5999998E-02
 H   0.8428000      -5.153800       1.406200    
 H   -1.949000       1.323200       1.503100    
 H   -4.153900     -9.1799997E-02  -1.909500    
 H   -3.972100       2.560000       2.201800    
 H   -6.023400       2.392200      0.7819000    


%chk=000059194-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000059194

0 1
O -0.564867 0.279483 -0.193801
O -1.660282 -0.417091 -2.142385
N -5.296172 1.201749 -0.618226
C 0.725823 -0.330995 -0.699030
C 1.860149 0.601865 -0.285994
C 0.812280 -1.759888 -0.176777
C 3.199102 0.137246 -0.346859
C 1.630251 1.948864 0.080229
C 4.052582 2.350523 0.323495
C 0.458052 -2.836347 -1.027158
C 1.198883 -2.030010 1.160666
C 4.274332 0.998764 -0.047673
C 2.711801 2.804923 0.386651
C 0.495342 -4.166229 -0.551283
C 1.230934 -3.357123 1.638376
C -1.689570 0.124329 -1.009725
C 5.215577 3.282070 0.618743
C 0.881406 -4.429510 0.782874
C -2.911386 0.692032 -0.368579
C -2.916069 1.210703 0.951163
C -4.123862 0.708747 -1.108777
C -4.122845 1.723029 1.470926
C -5.279821 1.699565 0.656393
H 0.638598 -0.357179 -1.802851
H 3.400109 -0.904488 -0.622137
H 0.603523 2.322024 0.134718
H 0.137716 -2.625978 -2.054161
H 1.476573 -1.199740 1.819804
H 5.301201 0.616426 -0.099761
H 2.509486 3.843350 0.676812
H 0.221233 -4.992115 -1.216817
H 1.528770 -3.558198 2.673549
H 4.908482 4.120801 1.267558
H 6.045165 2.749650 1.117304
H 5.621471 3.718734 -0.314605
H 0.909553 -5.460179 1.154205
H -1.995847 1.198400 1.541324
H -4.142647 0.309545 -2.128392
H -4.173187 2.130493 2.485184
H -6.235640 2.088055 1.026218


