%chk=000094985.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000094985

0 1
 O  -0.1550000       2.185500     -0.1401000    
 O   -3.935600     -0.3417000      0.6446000    
 N   -2.052500      0.9337000      0.2541000    
 N   -2.014500      -1.379500     -8.0700003E-02
 C    2.360600     -0.2138000      0.2589000    
 C    1.409100     -6.2199999E-02 -0.9282000    
 C    3.821000     -0.1467000     -0.1891000    
 C  -1.9900000E-02 -0.1587000     -0.5112000    
 C    4.772300     -0.3339000      0.9822000    
 C  -0.7253000       1.097700     -0.1223000    
 C  -0.7041000      -1.308600     -0.4660000    
 C   -2.756100     -0.2718000      0.2978000    
 H    2.168100      0.5762000      0.9958000    
 H    2.178700      -1.171800      0.7626000    
 H    1.627000     -0.8469000      -1.665100    
 H    1.596800      0.8852000      -1.447900    
 H    4.017800     -0.9234000     -0.9373000    
 H    4.020100      0.8206000     -0.6649000    
 H  -0.2546000      -2.258100     -0.7333000    
 H    5.810400     -0.2806000      0.6394000    
 H    4.621400      -1.307800       1.458600    
 H    4.623200      0.4450000       1.736700    
 H   -2.560500       1.771100      0.5247000    
 H   -2.457600      -2.293400     -7.4400000E-02


%chk=000094985-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000094985

0 1
O -0.010828 2.099753 0.143772
O -4.035421 -0.242000 0.674298
N -1.993645 0.896733 0.392578
N -2.178301 -1.350985 -0.234013
C 2.393611 -0.225021 0.257764
C 1.417044 -0.228671 -0.951907
C 3.872123 -0.153995 -0.185083
C -0.037957 -0.240058 -0.540363
C 4.850071 -0.164807 1.009668
C -0.621694 1.000401 0.006773
C -0.843636 -1.350768 -0.639632
C -2.830655 -0.225670 0.307621
H 2.158999 0.642831 0.902365
H 2.229308 -1.137584 0.866043
H 1.632829 -1.104386 -1.595262
H 1.612704 0.680185 -1.553100
H 4.098390 -1.006356 -0.858682
H 4.026284 0.767162 -0.782599
H -0.470756 -2.296101 -1.044147
H 5.901225 -0.106525 0.672454
H 4.737003 -1.089098 1.607039
H 4.661684 0.693810 1.680716
H -2.421103 1.745767 0.776389
H -2.756480 -2.188516 -0.317793


