%chk=000060761.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000060761

0 1
 O   0.4684000      -1.651600      0.2073000    
 O    1.161500       2.633900      1.1000000E-02
 N   -4.591300      0.6107000     -0.5568000    
 N  -0.5680000      0.4011000      0.1863000    
 N    1.772000      0.2972000      5.7300001E-02
 N    3.399900       1.918700     -8.8399999E-02
 C   -4.015000     -0.6408000      -1.082000    
 C   -4.319200      0.5103000      0.8889000    
 C   -4.434000      -1.712400     -6.9600001E-02
 C   -4.636500     -0.9473000       1.240100    
 C   -2.486000     -0.4397000      -1.106100    
 C   -2.822300      0.8329000       1.073900    
 C   -1.908500     -0.1222000      0.2851000    
 C   -6.014600      0.7475000     -0.8563000    
 C   0.5558000     -0.4238000      0.1536000    
 C    3.053900     -0.3190000      7.6000001E-03
 C    1.997200       1.740200     -4.4000000E-03
 C    4.023700      0.6782000     -8.0200002E-02
 C    3.429300      -1.650100      3.2000002E-02
 C    5.376300      0.4123000     -0.1456000    
 C    4.796700      -1.948400     -3.3100002E-02
 C    5.760700     -0.9276000     -0.1208000    
 H   -4.358600     -0.8751000      -2.095800    
 H   -4.911000       1.215400       1.483500    
 H   -3.692300      -2.510900      3.4299999E-02
 H   -5.379900      -2.178800     -0.3697000    
 H   -5.679100      -1.048600       1.564300    
 H   -4.003400      -1.337800       2.043400    
 H   -1.998900      -1.336900      -1.508600    
 H   -2.244300      0.3757000      -1.802100    
 H   -2.641600       1.869300      0.7562000    
 H   -2.558700      0.7915000       2.138400    
 H   -1.848800      -1.063300      0.8465000    
 H   -6.630300     -7.2400004E-02 -0.4727000    
 H   -6.165600      0.8056000      -1.939800    
 H   -6.397700       1.683700     -0.4357000    
 H  -0.4523000       1.399700      5.1899999E-02
 H    3.883100       2.806900     -0.1456000    
 H    2.717200      -2.462600      9.8600000E-02
 H    6.113500       1.203800     -0.2133000    
 H    5.119800      -2.986300     -1.5600000E-02
 H    6.814500      -1.188600     -0.1699000    


%chk=000060761-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000060761

0 1
O 0.478037 -1.625325 0.222792
O 1.126269 2.629392 -0.061734
N -4.696435 0.624739 -0.542765
N -0.548823 0.481532 0.156174
N 1.810924 0.309162 0.053349
N 3.396838 1.896480 -0.120761
C -4.028745 -0.589212 -1.120156
C -4.318571 0.505453 0.903380
C -4.343702 -1.751555 -0.104908
C -4.539642 -1.011743 1.262292
C -2.512036 -0.288698 -1.202876
C -2.830310 0.918963 1.032229
C -1.927676 -0.040055 0.216577
C -6.158993 0.668769 -0.776936
C 0.526918 -0.362991 0.148339
C 3.074012 -0.353621 0.034441
C 2.012011 1.722903 -0.045047
C 4.071806 0.659147 -0.075680
C 3.426532 -1.713632 0.101863
C 5.440608 0.348505 -0.121719
C 4.806693 -2.028895 0.055102
C 5.796844 -1.020351 -0.054415
H -4.425701 -0.792009 -2.130341
H -4.944569 1.179961 1.513482
H -3.526103 -2.492966 -0.070254
H -5.262431 -2.288392 -0.400685
H -5.557316 -1.171847 1.660035
H -3.828368 -1.356904 2.033769
H -1.971425 -1.128545 -1.678242
H -2.369646 0.614560 -1.824485
H -2.730600 1.951729 0.645984
H -2.515563 0.916989 2.093063
H -1.864759 -1.013632 0.736241
H -6.724238 -0.213377 -0.389945
H -6.347847 0.743217 -1.862740
H -6.574307 1.574654 -0.300201
H -0.373496 1.496966 0.065859
H 3.815017 2.820848 -0.199773
H 2.653784 -2.478563 0.185839
H 6.203567 1.128821 -0.206358
H 5.112213 -3.079197 0.105194
H 6.854827 -1.300881 -0.087881


