%chk=000012938.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000012938

0 1
 O  -0.8130000       1.883800      0.5299000    
 O   -2.159100      -2.556400      0.3309000    
 O    1.991600      -1.422900       1.826200    
 O    1.790500       2.385200      0.4576000    
 N   0.8236000      0.2493000      0.6477000    
 N  -0.1061000      -1.890000       1.103400    
 C   -1.407100     -0.3292000     -0.2600000    
 C  -0.9339000     -0.5636000      -1.714300    
 C   -2.858500      0.1714000     -0.1492000    
 C  -0.4516000      0.7213000      0.3278000    
 C   -1.293100      -1.686100      0.4228000    
 C   -1.813800      -1.574400      -2.417700    
 C   0.9946000      -1.038300       1.209900    
 C   -3.630600     -0.2003000      0.9439000    
 C   -3.379700      0.9888000      -1.144000    
 C    1.876600       1.157300      0.4055000    
 C   -4.945900      0.2531000       1.044100    
 C   -4.694900       1.442300      -1.043800    
 C   -5.478000       1.074400      5.0299998E-02
 C    3.180700      0.6428000     -2.3300000E-02
 C    3.247300     -0.5299000     -0.7670000    
 C    4.338600       1.332200      0.3185000    
 C    4.488100      -1.019600      -1.174500    
 C    5.579500      0.8424000     -8.9100003E-02
 C    5.654200     -0.3333000     -0.8356000    
 H  -0.9070000      0.3727000      -2.284300    
 H   9.5700003E-02 -0.9414000      -1.738500    
 H   -1.574400      -1.567700      -3.487900    
 H   -2.885200      -1.379900      -2.337300    
 H   -1.619300      -2.596300      -2.078300    
 H  -3.1999999E-03  -2.798100       1.548400    
 H   -3.241800     -0.7989000       1.761800    
 H   -2.796900       1.315800      -1.997800    
 H   -5.552600     -2.4000000E-02   1.901300    
 H   -5.107800       2.086700      -1.814500    
 H   -6.500900       1.430600      0.1302000    
 H    2.361200      -1.072700      -1.079100    
 H    4.303100       2.245800      0.9057000    
 H    4.546200      -1.931000      -1.762400    
 H    6.487700       1.375800      0.1759000    
 H    6.620300     -0.7138000      -1.154300    


%chk=000012938-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000012938

0 1
O 0.211979 0.561098 -2.011698
O -1.690515 -3.257177 0.056527
O 1.368543 -0.622688 2.335648
O 1.229220 2.343778 0.481955
N 0.717893 0.049618 0.186626
N -0.221653 -1.883794 1.180339
C -1.349549 -0.974988 -0.855415
C -1.731274 -1.501238 -2.282197
C -2.475203 -0.055884 -0.276323
C -0.083485 -0.083588 -0.974787
C -1.110958 -2.143369 0.119410
C -3.155289 -2.073572 -2.426710
C 0.655800 -0.791883 1.316323
C -3.385832 -0.526543 0.702669
C -2.635884 1.255924 -0.792573
C 1.687689 1.209394 0.253635
C -4.431475 0.304157 1.163758
C -3.683707 2.081414 -0.331331
C -4.584652 1.611241 0.650947
C 3.110694 0.877324 0.028351
C 3.526405 -0.398856 -0.435495
C 4.078436 1.892147 0.268522
C 4.894294 -0.657097 -0.653209
C 5.443692 1.627912 0.055475
C 5.854258 0.352475 -0.405315
H -1.593918 -0.652279 -2.974878
H -0.990134 -2.271271 -2.572344
H -3.313902 -2.395306 -3.472256
H -3.921967 -1.315667 -2.188694
H -3.307052 -2.943844 -1.768904
H -0.169425 -2.586637 1.925481
H -3.302922 -1.545028 1.096524
H -1.945123 1.637704 -1.551925
H -5.127610 -0.074857 1.920127
H -3.790045 3.093672 -0.736147
H -5.394247 2.254827 1.011963
H 2.785073 -1.178649 -0.637397
H 3.736589 2.870176 0.622306
H 5.214208 -1.639614 -1.015223
H 6.188515 2.407410 0.246493
H 6.917633 0.147459 -0.571358


