%chk=000125098.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000125098

0 1
 O   -1.277100     -0.6325000     -5.1399998E-02
 O    2.196700      -3.432400      0.5554000    
 O   -1.045900      0.4959000       1.922600    
 N   0.6861000      0.5073000      0.3657000    
 C    1.288400     -7.7500001E-02 -0.8518000    
 C    2.071000      0.9755000      -1.650200    
 C    3.030800       1.785000     -0.7835000    
 C    2.285800       2.404100      0.3932000    
 C    1.552500       1.342400       1.202700    
 C    2.145200      -1.296300     -0.5001000    
 C  -0.5869000      0.1522000      0.8347000    
 C    1.339800      -2.342100      0.2462000    
 C   -2.703800     -0.5106000     -2.4599999E-02
 C   -3.088900      0.9382000     -0.3306000    
 C   -3.298600      -1.467300      -1.049100    
 C   -4.595200       1.158100     -0.2791000    
 H   0.4834000     -0.4283000      -1.508400    
 H    1.353500       1.669500      -2.108000    
 H    2.618500      0.5037000      -2.474200    
 H    3.492800       2.576000      -1.385000    
 H    3.843300       1.146600     -0.4183000    
 H    2.988400       2.944100       1.037500    
 H    1.562700       3.138300      1.6400000E-02
 H    2.268300      0.6762000       1.698100    
 H   0.9665000       1.825200       1.991800    
 H    3.011500      -1.013300      0.1101000    
 H    2.561800      -1.738000      -1.414200    
 H   0.9597000      -1.973800       1.201200    
 H   0.5030000      -2.718000     -0.3505000    
 H   -3.059700     -0.8055000      0.9706000    
 H   -2.627700       1.631600      0.3802000    
 H   -2.704300       1.231200      -1.315600    
 H   -3.011900      -1.181400      -2.067200    
 H   -2.907100      -2.478500     -0.8899000    
 H   -4.389000      -1.515700     -0.9878000    
 H    2.513600      -3.805200     -0.2849000    
 H   -5.012400      0.8159000      0.6732000    
 H   -5.109500      0.6408000      -1.094100    
 H   -4.818800       2.225300     -0.3805000    


%chk=000125098-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000125098

0 1
O -1.299636 -0.210517 -0.297026
O 2.140617 -3.616903 0.370969
O -1.099187 1.000310 1.712888
N 0.773887 0.571002 0.358638
C 1.363829 -0.015565 -0.877953
C 2.212938 1.066483 -1.600533
C 3.233628 1.755375 -0.662974
C 2.513729 2.342305 0.573382
C 1.692764 1.254754 1.298534
C 2.177731 -1.304706 -0.573845
C -0.569273 0.502831 0.678797
C 1.334336 -2.420313 0.069723
C -2.782832 -0.300536 -0.063024
C -3.447079 0.984720 -0.596236
C -3.216525 -1.589169 -0.766077
C -4.965827 1.036328 -0.316094
H 0.516695 -0.291003 -1.527595
H 1.524608 1.834893 -2.005247
H 2.729329 0.602955 -2.463246
H 3.767779 2.553588 -1.212014
H 4.003102 1.028470 -0.333391
H 3.243921 2.777467 1.282031
H 1.833387 3.156736 0.255742
H 2.377062 0.509482 1.754888
H 1.075860 1.681796 2.105061
H 3.038334 -1.091974 0.087641
H 2.597307 -1.669422 -1.535085
H 0.947004 -2.100633 1.050467
H 0.468286 -2.674773 -0.577569
H -2.937248 -0.366281 1.030951
H -2.957776 1.847939 -0.108464
H -3.255081 1.063185 -1.684329
H -3.043340 -1.520623 -1.855283
H -2.650607 -2.452163 -0.374573
H -4.291007 -1.776801 -0.594781
H 2.508094 -3.974168 -0.476876
H -5.172864 0.926948 0.765010
H -5.512729 0.239558 -0.852093
H -5.386715 2.005128 -0.639812


