%chk=000170343.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000170343

0 1
 O   -3.427600       2.431700     -0.7238000    
 O   -4.155100      -1.911700       1.127800    
 O    4.266100      -1.899900     -0.3359000    
 N   6.8300001E-02 -0.2271000     -0.2871000    
 N    1.863400       1.316600      0.2685000    
 N    1.336500      -2.043900     -0.6369000    
 N    4.057300      0.3413000      0.2169000    
 N    3.715100       2.608300      0.7639000    
 C   -1.129600      0.6084000     -0.1825000    
 C   -3.553400      0.2193000      0.2322000    
 C   -3.339300       1.044900      -1.044500    
 C   -1.920300      0.7070000      -1.495900    
 C   -2.159500      0.1452000      0.8250000    
 C   -4.111100      -1.168900     -7.5900003E-02
 C    1.355500      0.1317000     -8.0100000E-02
 C   -1.901500     -0.2165000       2.089200    
 C   0.1055000      -1.560900     -0.6237000    
 C    2.120000     -0.9778000     -0.2946000    
 C    3.560600     -0.9160000     -0.1490000    
 C    3.249200       1.368300      0.4065000    
 H  -0.8069000       1.617000      0.1040000    
 H   -4.215800      0.7398000      0.9357000    
 H   -4.075100      0.8339000      -1.827000    
 H   -1.495600       1.479600      -2.146100    
 H   -1.916600     -0.2403000      -2.047600    
 H   -3.484600      -1.716700     -0.7872000    
 H   -5.121900      -1.106600     -0.4921000    
 H  -0.8875000     -0.2214000       2.474500    
 H   -2.694100     -0.4939000       2.774900    
 H   -4.336600       2.603600     -0.4242000    
 H  -0.7886000      -2.128000     -0.8452000    
 H    1.301900       2.145800      0.4305000    
 H   -4.776200      -1.464400       1.727700    
 H    3.084500       3.389500      0.9073000    
 H    4.706100       2.778200      0.8964000    


%chk=000170343-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000170343

0 1
O -3.034448 2.560747 -0.497696
O -4.882164 -1.856477 0.833727
O 4.598815 -1.674681 -0.313316
N 0.111909 -0.346847 0.043294
N 1.863876 1.441097 0.156926
N 1.508941 -2.143174 -0.235779
N 4.133352 0.614482 -0.035896
N 3.729877 2.904431 0.233082
C -1.119121 0.458005 0.080127
C -3.591708 0.222982 0.251422
C -3.187538 1.156534 -0.933922
C -1.769075 0.704241 -1.310685
C -2.262191 -0.131165 0.927051
C -4.366097 -1.025978 -0.258489
C 1.415908 0.132292 0.036390
C -2.099291 -0.846550 2.062959
C 0.233440 -1.749671 -0.136722
C 2.276623 -0.965081 -0.130537
C 3.739171 -0.765865 -0.171951
C 3.271051 1.603172 0.111693
H -0.861757 1.447625 0.509971
H -4.262693 0.765922 0.949140
H -3.903697 1.094985 -1.778383
H -1.245633 1.468064 -1.907382
H -1.800093 -0.236868 -1.888439
H -3.700930 -1.700764 -0.822414
H -5.191743 -0.700539 -0.929066
H -1.101597 -1.084162 2.450343
H -2.957335 -1.249119 2.608850
H -3.910400 2.913380 -0.199480
H -0.635508 -2.401578 -0.153410
H 1.224975 2.230150 0.267595
H -5.596357 -1.360572 1.309260
H 3.125352 3.712232 0.352877
H 4.739185 3.024851 0.200560


