%chk=000056510.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000056510

0 1
 O    1.247100      0.5892000      0.5163000    
 O    1.798600     -0.3860000       2.528800    
 O  -0.3857000      -1.882600       2.535200    
 N    4.631700      0.8919000     -0.4338000    
 C    2.481500       2.337500     -0.6307000    
 C    2.415500       1.411300      0.5972000    
 C    3.725400       3.222900     -0.4705000    
 C    2.686400       1.475000      -1.888300    
 C    3.682400      0.5385000      0.6471000    
 C    4.968600       2.329000     -0.3290000    
 C    3.974000      0.6498000      -1.736200    
 C    1.057000     -0.2741000       1.559600    
 C  -0.2215000      -1.086200       1.358800    
 C  -6.4900003E-02  -2.020000      0.1593000    
 C   -1.389600     -0.1866000       1.268600    
 C  -0.5141000      -1.596100      -1.071300    
 C   0.5193000      -3.251700      0.3525000    
 C   -2.348800      0.5321000       1.187300    
 C   -3.540300       1.382100       1.064600    
 C   -4.541400      0.8149000      5.4499999E-02
 C   -5.800200       1.680700     -7.9700001E-02
 C  -0.3717000      -2.448600      -2.166200    
 C   0.6619000      -4.104200     -0.7423000    
 C   -6.814300       1.119300      -1.078800    
 C   0.2163000      -3.702600      -2.001600    
 C   -8.073300       1.964500      -1.201100    
 H    1.568700       2.934500     -0.7280000    
 H    2.340500       2.028700       1.502500    
 H    3.834000       3.881200      -1.340800    
 H    3.622800       3.864500      0.4125000    
 H    1.829200      0.8092000      -2.041300    
 H    2.758000       2.116500      -2.774800    
 H    3.462700     -0.5332000      0.5699000    
 H    4.185200      0.6737000       1.613200    
 H    5.706900       2.592600      -1.096700    
 H    5.462300       2.523800      0.6314000    
 H    3.747800     -0.4184000      -1.844800    
 H    4.669200      0.8864000      -2.551500    
 H  -0.4945000      -1.286700       3.296600    
 H  -0.9555000     -0.6193000      -1.238200    
 H   0.8873000      -3.580100       1.319200    
 H   -3.239000       2.390200      0.7568000    
 H   -4.021400       1.477800       2.045000    
 H   -4.831600     -0.1998000      0.3561000    
 H   -4.059600      0.7217000     -0.9275000    
 H   -5.510800       2.692400     -0.3898000    
 H   -6.278300       1.774500      0.9033000    
 H  -0.7133000      -2.133900      -3.148000    
 H    1.123400      -5.079200     -0.6154000    
 H   -6.344500       1.037700      -2.066300    
 H   -7.098400      0.1043000     -0.7768000    
 H   0.3293000      -4.365500      -2.854500    
 H   -8.761400       1.519200      -1.926300    
 H   -8.590300       2.035700     -0.2390000    
 H   -7.831500       2.977700      -1.537200    


%chk=000056510-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000056510

0 1
O 1.334701 0.452593 0.491693
O 1.444976 -0.122342 2.747426
O -0.507324 -1.960100 2.538660
N 4.749663 0.881798 -0.455260
C 2.552579 2.272893 -0.594612
C 2.528341 1.359413 0.645362
C 3.775345 3.221517 -0.434432
C 2.725037 1.419298 -1.881612
C 3.862440 0.534474 0.687921
C 5.079933 2.339345 -0.402443
C 4.046151 0.576858 -1.741362
C 0.920552 -0.217387 1.608611
C -0.336079 -1.124231 1.342828
C -0.068270 -2.058614 0.146725
C -1.495060 -0.226066 1.150587
C -0.504535 -1.732823 -1.157900
C 0.680697 -3.240331 0.360774
C -2.472306 0.521099 1.054553
C -3.656448 1.388030 0.941656
C -4.744443 0.833897 -0.021530
C -5.982075 1.754874 -0.087169
C -0.190105 -2.580987 -2.243279
C 0.993794 -4.087286 -0.724970
C -7.078096 1.228130 -1.041505
C 0.562767 -3.759165 -2.031611
C -8.317753 2.146967 -1.096269
H 1.615537 2.854733 -0.642833
H 2.375440 1.934921 1.576935
H 3.793187 3.931443 -1.282020
H 3.677707 3.821573 0.490951
H 1.848818 0.761745 -2.015093
H 2.773664 2.094944 -2.756192
H 3.632952 -0.545496 0.638838
H 4.402453 0.722508 1.631778
H 5.734388 2.566422 -1.262604
H 5.663786 2.524619 0.517345
H 3.827046 -0.505572 -1.755734
H 4.748161 0.787105 -2.568002
H -0.096787 -1.462306 3.300707
H -1.091911 -0.822500 -1.318096
H 0.982397 -3.499854 1.379839
H -3.347469 2.397039 0.600008
H -4.100697 1.524874 1.948781
H -5.042833 -0.177371 0.315716
H -4.307908 0.714974 -1.032543
H -5.672955 2.770842 -0.411966
H -6.409803 1.870106 0.931030
H -0.536689 -2.325682 -3.251191
H 1.567154 -5.004804 -0.550840
H -6.652781 1.117138 -2.059773
H -7.382656 0.211646 -0.719593
H 0.803566 -4.418121 -2.873597
H -9.086871 1.748188 -1.782857
H -8.778872 2.250425 -0.095843
H -8.045403 3.160804 -1.446094


