%chk=000037057.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000037057

0 1
 O   0.2803000       2.117300     -0.8735000    
 O   -3.168000      -2.251900     -9.5799997E-02
 O   5.9500001E-02   2.211800       1.386800    
 N    2.889900      0.4757000      0.5386000    
 N   -1.907000     -0.2829000      9.9699996E-02
 C    1.780900     -0.3901000      0.4064000    
 C   0.4827000      0.1128000      0.3196000    
 C  -0.5791000     -0.7677000      0.1910000    
 C    1.999800      -1.767100      0.3635000    
 C  -0.3775000      -2.138300      0.1469000    
 C    4.230600      0.3737000      0.1259000    
 C   0.9206000      -2.641100      0.2339000    
 C   -3.095800      -1.013700     -3.4299999E-02
 C   0.2544000       1.555400      0.3633000    
 C   -4.316100     -0.2289000     -0.1309000    
 C    5.240100       1.001500      0.8595000    
 C    4.558300     -0.3556000      -1.019500    
 C   -5.530100     -0.7726000      0.2895000    
 C   -4.272800       1.067700     -0.6433000    
 C    6.569600      0.9009000      0.4499000    
 C    5.887900     -0.4562000      -1.429000    
 C    6.893600      0.1720000     -0.6943000    
 C   -6.700700     -1.9800000E-02  0.1971000    
 C   -5.443500       1.820600     -0.7356000    
 C   -6.657400       1.276700     -0.3154000    
 H    2.690300       1.320800       1.065900    
 H    2.996100      -2.190800      0.4538000    
 H   -1.150000      -2.885000      5.0200000E-02
 H   -1.985100      0.7256000      0.1839000    
 H    1.092000      -3.713400      0.2064000    
 H    5.001200       1.572000       1.753600    
 H    3.794500     -0.8358000      -1.625200    
 H   -5.585100      -1.778800      0.6967000    
 H   -3.360000       1.520200      -1.019300    
 H    7.352600       1.390000       1.021800    
 H    6.140000      -1.019200      -2.323000    
 H    7.928600      9.4700001E-02  -1.014000    
 H   -7.645800     -0.4426000      0.5250000    
 H   -5.412200       2.827000      -1.142900    
 H   -7.569200       1.862200     -0.3890000    
 H   0.1262000       3.085400     -0.8384000    


%chk=000037057-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000037057

0 1
O -0.999972 2.140310 0.158768
O -3.187976 -2.273538 0.096031
O 1.236388 2.522243 0.466271
N 2.947843 0.572123 0.241575
N -1.926890 -0.274630 0.055434
C 1.874849 -0.309988 0.168085
C 0.504979 0.202915 0.168283
C -0.596797 -0.750475 0.082965
C 2.089922 -1.718314 0.134162
C -0.331199 -2.137825 0.033057
C 4.328544 0.310053 0.019390
C 1.002710 -2.596864 0.072539
C -3.119374 -1.007346 0.019054
C 0.328833 1.648301 0.276744
C -4.368764 -0.168789 -0.105131
C 5.272325 1.064890 0.768904
C 4.799278 -0.595103 -0.971216
C -5.591923 -0.770889 0.288628
C -4.384205 1.152216 -0.627853
C 6.655278 0.907235 0.542552
C 6.185418 -0.754295 -1.181341
C 7.122699 -0.010648 -0.427035
C -6.805043 -0.060520 0.186143
C -5.601532 1.859595 -0.737378
C -6.813633 1.259333 -0.324769
H 2.678796 1.552022 0.447375
H 3.107428 -2.106771 0.204471
H -1.169799 -2.832127 -0.009493
H -2.011422 0.751197 0.087255
H 1.189182 -3.676586 0.066493
H 4.912850 1.765025 1.531903
H 4.087973 -1.140422 -1.598546
H -5.562649 -1.799395 0.662644
H -3.463463 1.626397 -0.987774
H 7.368278 1.496062 1.130273
H 6.532695 -1.451713 -1.952009
H 8.196887 -0.137661 -0.597530
H -7.742108 -0.533319 0.499629
H -5.606337 2.872959 -1.153821
H -7.756439 1.811031 -0.409628
H -0.969330 3.125815 0.280393


