%chk=000094074.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000094074

0 1
 O  -0.3576000       1.394900       1.250200    
 O   0.3678000      -1.359200       1.271300    
 O    2.290900       1.522200       1.019500    
 O   -2.278400      -1.486900       1.062600    
 N    2.305700      0.3950000      -1.011000    
 N   -2.306700     -0.4157000     -0.9978000    
 C   0.1877000      0.7593000      0.1033000    
 C  -0.1836000     -0.7285000      0.1239000    
 C    1.700200      0.9507000      0.1057000    
 C   -1.694700     -0.9332000      0.1335000    
 C    3.733500      0.4280000      -1.228000    
 C   -3.734000     -0.4716000      -1.214300    
 C    4.347600     -0.7883000     -0.6188000    
 C   -4.362800      0.7535000     -0.6386000    
 C    5.291100     -0.7523000      0.3290000    
 C   -5.306500      0.7319000      0.3094000    
 H  -0.2144000       1.270200     -0.7775000    
 H   0.2143000      -1.245600     -0.7565000    
 H    1.732500     -3.8699999E-02  -1.728200    
 H   -1.738200      8.8999998E-03  -1.724400    
 H    3.904700      0.4312000      -2.308800    
 H    4.144000       1.352900     -0.8089000    
 H   -3.904400     -0.5063000      -2.294700    
 H   -4.133700      -1.389500     -0.7701000    
 H  -5.9599999E-02  0.9027000       2.034300    
 H   0.2055000      -2.314400       1.187000    
 H    4.013900      -1.757400     -0.9816000    
 H   -4.040500       1.716200      -1.027700    
 H    5.704200      -1.672200      0.7280000    
 H    5.664700      0.1867000      0.7221000    
 H   -5.730900       1.657300      0.6831000    
 H   -5.669200     -0.2004000      0.7277000    


%chk=000094074-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000094074

0 1
O -0.504996 1.958095 -2.423936
O 0.523260 -1.618109 -2.745183
O 1.360559 2.022277 -0.602793
O -1.349845 -2.007643 -0.973477
N 2.150999 -0.152666 -1.012170
N -2.143661 0.204519 -0.994184
C 0.419198 0.822485 -2.494349
C -0.400920 -0.488081 -2.614327
C 1.358742 0.924512 -1.260511
C -1.346862 -0.809841 -1.424910
C 3.085447 -0.207776 0.133150
C -3.084030 0.052895 0.137555
C 2.456084 -0.828169 1.370731
C -2.452967 0.416285 1.472551
C 2.375373 -0.206863 2.571848
C -2.385522 -0.425602 2.531752
H 1.040796 0.902177 -3.408868
H -1.018756 -0.402576 -3.531246
H 1.959554 -0.987184 -1.593072
H -1.948683 1.129742 -1.414604
H 3.968161 -0.795472 -0.184619
H 3.414184 0.822206 0.351156
H -3.956820 0.702857 -0.065283
H -3.427953 -0.995089 0.154298
H -0.058951 2.588874 -1.772088
H 0.075191 -2.355361 -2.218425
H 2.051854 -1.844107 1.250321
H -2.034978 1.430794 1.550042
H 1.922048 -0.698067 3.440202
H 2.752222 0.812762 2.717674
H -1.930224 -0.117253 3.479598
H -2.775405 -1.449224 2.476866


