%chk=000096897.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000096897

0 1
 O  -0.7607000      -1.902800     -0.6180000    
 O   0.9564000       2.509600     -0.8302000    
 O    3.642700      -1.024600      0.3431000    
 N    1.426500      -1.442900     -9.4999999E-02
 N    2.276100      0.7404000     -0.2003000    
 C  -0.9716000      0.7907000      0.7542000    
 C  -0.1375000      0.4074000     -0.4666000    
 C   -2.320300      4.9199998E-02  0.8036000    
 C  -0.1788000      0.5037000       2.031900    
 C   -3.183900      0.2707000     -0.4405000    
 C   0.1325000      -1.078600     -0.4195000    
 C    1.065700       1.319200     -0.5350000    
 C   -4.470400     -0.5386000     -0.3734000    
 C    2.523400     -0.6034000      4.5800000E-02
 H   -1.180600       1.868700      0.7256000    
 H  -0.6741000      0.5974000      -1.403100    
 H   -2.880400      0.4281000       1.670100    
 H   -2.193300      -1.019500       1.004800    
 H  -0.7626000      0.8199000       2.904900    
 H   0.7611000       1.061100       2.076300    
 H   3.5700001E-02 -0.5603000       2.170900    
 H   -2.662700     -3.3199999E-02  -1.352000    
 H   -3.424900       1.335100     -0.5409000    
 H   -4.257200      -1.610900     -0.3166000    
 H   -5.064100     -0.2587000      0.5026000    
 H   -5.077900     -0.3600000      -1.266200    
 H    1.602700      -2.437600      1.4900000E-02
 H    3.080800       1.360200     -0.1682000    


%chk=000096897-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000096897

0 1
O -0.481885 -2.125502 -0.564168
O 0.868347 2.516791 -0.794828
O 3.923377 -0.850317 0.193611
N 1.681049 -1.442364 -0.112317
N 2.353256 0.819585 -0.271371
C -1.005809 0.684514 0.797981
C -0.085742 0.291905 -0.439429
C -2.381759 -0.028552 0.769118
C -0.282739 0.454214 2.145362
C -3.236397 0.228579 -0.492851
C 0.325221 -1.174524 -0.393374
C 1.056233 1.299981 -0.537379
C -4.672187 -0.320743 -0.343747
C 2.735942 -0.514405 -0.036315
H -1.175999 1.772491 0.665863
H -0.710738 0.429795 -1.340198
H -2.943233 0.329069 1.657422
H -2.244860 -1.119098 0.898393
H -0.910348 0.827722 2.973938
H 0.685084 0.985831 2.199530
H -0.101125 -0.621250 2.329526
H -2.762362 -0.255539 -1.369712
H -3.273430 1.317050 -0.704572
H -4.658323 -1.410783 -0.158234
H -5.196104 0.159368 0.504230
H -5.269146 -0.140920 -1.256235
H 1.950229 -2.427411 -0.018023
H 3.116046 1.504813 -0.279023


