%chk=000100977.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000100977

0 1
 O    5.325100      -1.483100      0.2814000    
 O    4.863500      0.2019000      -1.169400    
 O   -3.239700       1.070000      -1.127700    
 N   -2.056800      0.5640000      0.7880000    
 C   0.9359000      0.6605000      0.6218000    
 C  -2.0900000E-02   1.722100      7.4299999E-02
 C    2.267000      0.5971000     -0.1296000    
 C   -1.335300       1.806800      0.8420000    
 C    3.188400     -0.4678000      0.4652000    
 C    4.523200     -0.5191000     -0.2419000    
 C   -2.974200      0.2869000     -0.2167000    
 C   -3.635900      -1.058000     -0.1164000    
 C   -3.308800      -2.009000      0.9945000    
 C   -4.531500      -1.372300      -1.065500    
 H   0.4597000     -0.3263000      0.5735000    
 H    1.129700      0.8671000       1.681800    
 H  -0.2250000       1.508900     -0.9824000    
 H   0.4699000       2.702100      0.1114000    
 H    2.083700      0.3796000      -1.189200    
 H    2.758100       1.577200     -8.8799998E-02
 H   -1.956300       2.609700      0.4304000    
 H   -1.148800       2.032300       1.897300    
 H    3.374200     -0.2505000       1.522800    
 H    2.718600      -1.454000      0.3799000    
 H   -1.866800     -0.1119000       1.519900    
 H   -3.547400      -1.564600       1.966300    
 H   -3.878100      -2.941800      0.9160000    
 H   -2.246800      -2.275000      0.9750000    
 H    6.193500      -1.522500     -0.1733000    
 H   -5.044800      -2.328900      -1.051500    
 H   -4.785800     -0.7029000      -1.880300    


%chk=000100977-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000100977

0 1
O 5.457155 -1.499660 0.232855
O 5.072104 0.356861 -1.106729
O -3.266210 1.102356 -1.133166
N -2.117054 0.513857 0.796040
C 0.996054 0.646533 0.641497
C 0.003434 1.671025 0.050682
C 2.338537 0.615123 -0.121742
C -1.336523 1.763459 0.820239
C 3.311426 -0.429496 0.456907
C 4.659889 -0.440007 -0.236645
C -3.045242 0.258221 -0.206321
C -3.768736 -1.071501 -0.113266
C -3.467503 -2.022798 1.033544
C -4.677059 -1.357137 -1.083782
H 0.537499 -0.364234 0.619272
H 1.184893 0.887875 1.709940
H -0.215376 1.423410 -1.005445
H 0.467687 2.678283 0.052470
H 2.154928 0.395985 -1.191075
H 2.812689 1.614457 -0.092575
H -1.966379 2.544455 0.359792
H -1.151608 2.038354 1.876825
H 3.493973 -0.244706 1.534928
H 2.889005 -1.451181 0.398060
H -1.942663 -0.187351 1.515390
H -3.699482 -1.566921 2.016394
H -4.072411 -2.940564 0.946607
H -2.403069 -2.332446 1.044836
H 6.338061 -1.473869 -0.231183
H -5.242923 -2.295327 -1.088535
H -4.857494 -0.634558 -1.887016


