%chk=000170612.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000170612

0 1
 O   0.6979000     -0.3776000       1.539000    
 O   -2.654800      -2.203900       1.023200    
 O   -1.537500      -1.787600     -0.9196000    
 O    3.690200      -1.687800     -6.2000002E-03
 O    2.136500     -0.9849000      -1.508400    
 N  -0.7921000      0.6357000      8.6599998E-02
 N    1.558200       2.521200      0.8509000    
 C   -1.996200      1.5699999E-02  0.6239000    
 C   -3.144600      0.8337000      4.4599999E-02
 C   -2.585600       1.339600      -1.282900    
 C   -1.117400       1.588000     -0.9721000    
 C   0.4608000      0.4368000      0.6454000    
 C    1.567800       1.289200      7.8199998E-02
 C   -2.019700      -1.401100      0.1346000    
 C    2.893200      0.5518000      0.1953000    
 C    2.843400     -0.7687000     -0.5325000    
 H   -1.961300      3.2800000E-02   1.718400    
 H   -3.356400       1.689400      0.6973000    
 H   -4.069500      0.2637000     -8.6099997E-02
 H   -2.683100      0.5616000      -2.049400    
 H   -3.096000       2.236200      -1.645400    
 H  -0.4911000       1.430200      -1.853700    
 H  -0.9684000       2.602700     -0.5920000    
 H    1.405000       1.520300     -0.9768000    
 H    3.139100      0.3594000       1.247500    
 H    3.708900       1.143500     -0.2356000    
 H   0.7003000       3.042800      0.6827000    
 H    2.321200       3.124200      0.5457000    
 H   -2.682100      -3.136500      0.7199000    
 H    3.657900      -2.537700     -0.4950000    


%chk=000170612-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000170612

0 1
O 0.243770 0.244691 2.057819
O -2.871251 -1.801954 1.522378
O -1.174721 -1.986035 -0.056357
O 3.216456 -1.623903 -0.961998
O 1.845900 -0.089998 -2.023967
N -0.818442 0.882564 0.106520
N 2.112717 2.417444 1.493169
C -2.076050 0.256536 0.569056
C -3.111863 0.693778 -0.508392
C -2.254380 0.821476 -1.793101
C -0.918639 1.414480 -1.285872
C 0.294213 0.812842 0.912998
C 1.620596 1.478987 0.458717
C -1.938805 -1.271117 0.623164
C 2.694795 0.384948 0.253630
C 2.506972 -0.423070 -1.011378
H -2.339681 0.597064 1.583387
H -3.532980 1.673866 -0.219671
H -3.944322 -0.022084 -0.603365
H -2.073655 -0.175578 -2.231184
H -2.726769 1.458617 -2.558979
H -0.057021 1.083606 -1.887262
H -0.954703 2.522502 -1.269222
H 1.491850 2.035864 -0.484096
H 2.723439 -0.293237 1.124908
H 3.679316 0.888567 0.198662
H 2.106238 1.969807 2.421015
H 1.583440 3.297672 1.516424
H -2.780612 -2.792984 1.543599
H 3.078791 -2.122653 -1.813100


