%chk=000005009.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005009

0 1
 O  -0.6509000      -1.386800       2.525100    
 O    2.706100       3.044300      0.2392000    
 N    3.053100      -2.416500     -0.5504000    
 C   -1.689500     -0.6798000      -1.064200    
 C   -3.936800      1.5400000E-02  4.8999999E-02
 C   -1.748300      -1.217000      0.3868000    
 C   -3.048000     -0.7342000       1.064200    
 C   -3.204700       1.268100     -0.4971000    
 C   -1.834500      0.8556000      -1.075200    
 C   -2.878900      -1.279900      -1.840600    
 C   -4.200000     -0.9315000      -1.139300    
 C  -0.5162000     -0.8493000       1.212400    
 C   -3.066500       2.348000      0.5348000    
 C   0.7562000      -1.366200      0.5874000    
 C   -3.602000       3.567800      0.4181000    
 C    1.797600     -0.5116000      0.2260000    
 C   0.8507000      -2.730200      0.3875000    
 C    2.948700      -1.089100     -0.3500000    
 C    1.722700      0.8780000      0.4210000    
 C    2.015300      -3.202400     -0.1828000    
 C    3.993500     -0.2438000     -0.7135000    
 C    2.782500       1.699700      4.8400000E-02
 C    3.919100       1.137800     -0.5197000    
 C    3.830700       3.823500     -0.1670000    
 H  -0.7633000     -0.9684000      -1.571000    
 H   -4.887900      0.2930000      0.5183000    
 H   -1.830300      -2.312000      0.3418000    
 H   -2.847700     -9.5399998E-02   1.931300    
 H   -3.594500      -1.602100       1.455900    
 H   -3.806100       1.665000      -1.328000    
 H   -1.763700       1.215600      -2.110400    
 H   -1.006400       1.332700     -0.5446000    
 H   -2.775500      -2.368900      -1.917100    
 H   -2.891200     -0.8950000      -2.867600    
 H   -4.888000     -0.4658000      -1.855000    
 H   -4.688400      -1.849100     -0.7893000    
 H  -0.5293000      0.2256000       1.368900    
 H   -2.479600       2.135000       1.424600    
 H   0.1966000      -1.271100       2.988000    
 H   -3.456500       4.307900       1.197400    
 H   -4.190500       3.850500     -0.4475000    
 H   7.0600003E-02  -3.426100      0.6723000    
 H   0.8744000       1.379800      0.8689000    
 H    2.155900      -4.263200     -0.3632000    
 H    4.894500     -0.6605000      -1.160300    
 H    4.784000       1.711500     -0.8352000    
 H    4.727300       3.564600      0.4064000    
 H    3.597700       4.869400      5.8100000E-02
 H    3.996100       3.757800      -1.247700    


%chk=000005009-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000005009

0 1
O -0.883187 -1.784190 2.499803
O 2.743987 2.923036 -0.127156
N 3.234883 -2.683332 -0.335971
C -1.542835 -0.269078 -0.967118
C -3.961676 -0.009686 -0.017001
C -1.689697 -1.104277 0.340345
C -3.039800 -0.704232 1.022047
C -3.394077 1.404280 -0.380912
C -1.863168 1.226566 -0.691783
C -2.577033 -0.816750 -1.989473
C -3.991016 -0.859800 -1.316111
C -0.492165 -0.982010 1.314971
C -3.634596 2.437140 0.697942
C 0.817116 -1.513497 0.730515
C -4.344942 3.582709 0.544645
C 1.882802 -0.657530 0.254232
C 1.006938 -2.899664 0.654071
C 3.078592 -1.304491 -0.267464
C 1.833080 0.769329 0.271555
C 2.215453 -3.438799 0.116229
C 4.157634 -0.495504 -0.740757
C 2.910830 1.532043 -0.199134
C 4.089288 0.897367 -0.712744
C 3.830050 3.775625 -0.619037
H -0.521600 -0.366750 -1.380286
H -4.983105 0.095811 0.395119
H -1.733593 -2.174599 0.051642
H -2.850979 -0.034124 1.882198
H -3.531208 -1.599900 1.439775
H -3.915299 1.745164 -1.298851
H -1.579420 1.846769 -1.561953
H -1.263865 1.601108 0.161407
H -2.276153 -1.824527 -2.333177
H -2.587018 -0.163388 -2.883283
H -4.765120 -0.477551 -2.008312
H -4.271837 -1.900836 -1.064026
H -0.373759 0.076399 1.627219
H -3.182306 2.222986 1.680606
H -0.126726 -1.789860 3.140623
H -4.482223 4.291985 1.368813
H -4.810049 3.845072 -0.414537
H 0.225758 -3.571896 1.022395
H 0.958131 1.308068 0.644699
H 2.353848 -4.524971 0.056259
H 5.039444 -1.016328 -1.126055
H 4.931054 1.490872 -1.081169
H 4.762454 3.616032 -0.043783
H 3.473636 4.804631 -0.465832
H 4.021574 3.605277 -1.696086


