%chk=000117077.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000117077

0 1
 O    3.889800      0.2611000      3.5000000E-02
 O    3.007000      -1.752200      0.1052000    
 N   -2.242100       1.766700     -0.1741000    
 N    2.896400     -0.5044000      4.5600001E-02
 N   -1.848500      -2.385700      2.5599999E-02
 C  -0.9579000       1.180700     -0.1198000    
 C  -0.8046000     -0.2042000     -5.3599998E-02
 C   0.4724000     -0.7626000      7.9999998E-04
 C   0.1660000       2.007000     -0.1313000    
 C    1.596200      6.3600004E-02 -1.1000000E-02
 C    1.442900       1.448500     -7.7200003E-02
 C   -1.958800      -1.094300     -3.8300000E-02
 C   -2.527200       3.058800      0.3653000    
 C   -3.131500      -3.083000      2.7700000E-02
 H   0.5882000      -1.842500      5.2700002E-02
 H   8.2599998E-02   3.088300     -0.1913000    
 H    2.295300       2.123000     -9.0099998E-02
 H   -3.024100       1.207400     -0.4866000    
 H   -2.969500     -0.6581000     -6.8000004E-02
 H   -3.609700       3.222700      0.3757000    
 H   -2.086700       3.855200     -0.2427000    
 H   -2.171400       3.152100       1.396800    
 H   -3.719300      -2.828100      0.9159000    
 H   -2.951900      -4.162300      4.4900000E-02
 H   -3.711100      -2.856600     -0.8737000    


%chk=000117077-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000117077

0 1
O 3.932623 0.266489 0.058107
O 3.012559 -1.824287 0.020864
N -2.266738 1.817738 0.028187
N 2.910707 -0.533550 0.041120
N -1.902544 -2.418378 -0.080266
C -1.015552 1.223427 0.048095
C -0.862394 -0.216370 0.035854
C 0.435572 -0.770683 0.028510
C 0.161252 2.041075 0.072678
C 1.569113 0.062199 0.044871
C 1.438400 1.473306 0.071503
C -2.028976 -1.125628 0.043510
C -2.488855 3.265329 0.046412
C -3.100604 -3.266079 -0.035957
H 0.542052 -1.858899 0.014577
H 0.064302 3.129609 0.086306
H 2.339515 2.092020 0.087925
H -3.086892 1.218479 -0.035132
H -3.038990 -0.669597 0.183176
H -3.573063 3.461618 0.042376
H -2.047605 3.761991 -0.840083
H -2.060952 3.732478 0.954467
H -2.992864 -3.994595 0.789220
H -3.157598 -3.852751 -0.971884
H -4.059967 -2.713842 0.099066


