%chk=000093302.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000093302

0 1
 O  -0.5067000      -1.639600     -0.3778000    
 O    1.632500      -2.389200     -0.5582000    
 O    3.067500       1.635200      -1.674900    
 O    3.273800      -1.505100       1.698500    
 N    2.721100      2.5500000E-02  2.4000001E-03
 N   -5.077000     -0.1897000     -3.6200002E-02
 C  -0.9384000      0.6965000      0.1635000    
 C   0.5191000      0.9380000      0.2176000    
 C    1.356400     -9.0899996E-02 -2.2500001E-02
 C   -1.400300     -0.5842000     -0.1320000    
 C   -3.699800      0.1028000      2.9800000E-02
 C   -1.905100       1.688100      0.3937000    
 C   -2.760700     -0.8952000     -0.2021000    
 C   -3.272400       1.393800      0.3275000    
 C   0.8652000      -1.456600     -0.3392000    
 C   0.9698000       2.341300      0.5428000    
 C    3.440200      0.8605000     -0.8093000    
 C    3.541200     -0.6774000      0.8431000    
 C    4.852900      0.6641000     -0.4452000    
 C    4.912400     -0.2431000      0.5301000    
 C   -5.567100      -1.222500     -0.9282000    
 C   -6.024600      0.5476000      0.7766000    
 H   -1.624600       2.713200      0.6208000    
 H   -3.055300      -1.916500     -0.4262000    
 H   -3.976200       2.203300      0.5015000    
 H   0.7217000       3.025600     -0.2754000    
 H    2.042900       2.423000      0.7326000    
 H   0.4920000       2.698700       1.462100    
 H    5.678300       1.180400     -0.9056000    
 H    5.796100     -0.6131000       1.022100    
 H   -5.415000      -2.215400     -0.4923000    
 H   -5.069700      -1.178600      -1.903700    
 H   -6.640400      -1.106100      -1.116200    
 H   -6.250200       1.519100      0.3243000    
 H   -5.645300      0.7039000       1.792800    
 H   -6.969700      1.8000000E-03  0.8742000    


%chk=000093302-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000093302

0 1
O -0.519033 -1.540549 -0.594709
O 1.637311 -2.256626 -0.964625
O 3.056706 1.565660 -1.882494
O 3.293977 -1.293170 1.852112
N 2.766470 0.135439 0.009847
N -5.125235 -0.195443 -0.076390
C -0.956736 0.726404 0.267769
C 0.469459 0.969036 0.373240
C 1.346448 -0.035254 -0.024693
C -1.419577 -0.538098 -0.210188
C -3.770698 0.100004 0.030854
C -1.963080 1.674553 0.618013
C -2.777586 -0.859650 -0.329647
C -3.324533 1.385183 0.507567
C 0.908707 -1.332633 -0.553795
C 0.975552 2.293002 0.897429
C 3.526724 0.846111 -0.970872
C 3.645315 -0.583991 0.883989
C 4.972592 0.562734 -0.659508
C 5.041345 -0.271524 0.412764
C -5.551307 -1.513562 -0.571509
C -6.137289 0.803767 0.298729
H -1.662883 2.662663 0.981153
H -3.033017 -1.853072 -0.702556
H -4.052680 2.150215 0.787304
H 0.765135 3.101988 0.173176
H 2.061979 2.267294 1.067883
H 0.480126 2.555948 1.849006
H 5.779110 0.995456 -1.251904
H 5.918150 -0.684856 0.911665
H -5.184131 -2.331373 0.079752
H -5.182224 -1.701065 -1.599315
H -6.650814 -1.560621 -0.590818
H -6.060295 1.719291 -0.320908
H -6.048057 1.097795 1.363381
H -7.141330 0.378145 0.149297


