%chk=000109178.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000109178

1 1
 O   -7.345300      -1.724500      0.4044000    
 N    2.861000      -1.182800      3.2000002E-02
 N   -5.695200      0.5378000      3.1399999E-02
 C    3.087500       1.095300     -0.5143000    
 C    4.415400      0.4933000     -0.1536000    
 C    2.193500     -0.1400000     -0.3520000    
 C    4.224500     -0.8506000      0.1633000    
 C    3.079100       1.600100      -1.959000    
 C    2.692900       2.200100      0.4689000    
 C    5.677300       1.061100     -0.1028000    
 C   0.7494000     -8.3999999E-02 -0.6112000    
 C    5.275100      -1.671100      0.5383000    
 C    2.414300      -2.555800      0.3142000    
 C    6.750700      0.2501000      0.2739000    
 C    6.551000      -1.104200      0.5915000    
 C  -6.2399998E-02  0.2149000      0.4072000    
 C   -1.530400      0.2992000      0.3090000    
 C   -2.176700     -0.3267000     -0.7444000    
 C   -2.235000       1.002600       1.272200    
 C   -4.290200      0.4577000      0.1248000    
 C   -3.566200     -0.2468000     -0.8371000    
 C   -3.624600       1.082300       1.179400    
 C   -6.395000     -9.6600004E-02  -1.068100    
 C   -6.456500       1.267300       1.025700    
 C   -6.594200      -1.578700     -0.7937000    
 H    2.093600       1.991400      -2.236200    
 H    3.809700       2.403400      -2.107500    
 H    3.320000      0.7981000      -2.667300    
 H    3.419300       3.020900      0.4588000    
 H    1.714600       2.625800      0.2201000    
 H    2.635800       1.824800       1.497800    
 H    5.836100       2.105800     -0.3467000    
 H   0.4302000     -0.2737000      -1.627800    
 H    5.139200      -2.717900      0.7862000    
 H    2.632300      -2.791000       1.359800    
 H    2.933300      -3.243600     -0.3597000    
 H    1.337400      -2.634200      0.1446000    
 H    7.752000      0.6697000      0.3222000    
 H    7.400700      -1.716700      0.8818000    
 H   0.3542000      0.4122000       1.392900    
 H   -1.654100     -0.9017000      -1.502500    
 H   -1.729800       1.495700       2.098500    
 H   -4.022400     -0.7574000      -1.677800    
 H   -4.142000       1.642900       1.951700    
 H   -5.905900      7.4100003E-02  -2.033600    
 H   -7.383800      0.3677000      -1.180100    
 H   -6.182800       2.328200       1.033200    
 H   -6.311600      0.8434000       2.025700    
 H   -7.533000       1.222800      0.8247000    
 H   -5.653200      -2.119100     -0.6640000    
 H   -7.147700      -2.053100      -1.610100    
 H   -8.204600      -1.290200      0.2680000    


%chk=000109178-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000109178

1 1
O -7.592510 -1.373181 -1.300176
N 3.001061 -0.694706 0.801466
N -5.820703 0.343057 0.400911
C 3.184635 0.845689 -1.002396
C 4.561128 0.422172 -0.498052
C 2.244361 0.072471 -0.050723
C 4.406325 -0.485807 0.575235
C 2.959585 0.396513 -2.479794
C 2.972099 2.383000 -0.865299
C 5.847292 0.784040 -0.925258
C 0.834565 0.191610 -0.128960
C 5.499038 -1.048853 1.258608
C 2.505780 -1.681482 1.772701
C 6.967731 0.226294 -0.257305
C 6.792857 -0.675843 0.820451
C -0.150438 -0.218497 0.784162
C -1.568878 -0.061643 0.637341
C -2.205958 0.473902 -0.535190
C -2.432905 -0.466854 1.711729
C -4.450134 0.203481 0.464653
C -3.587715 0.598967 -0.626807
C -3.817047 -0.344176 1.639080
C -6.504031 0.818485 -0.823216
C -6.671335 -0.139848 1.511506
C -6.743820 -0.313539 -1.851994
H 1.948555 0.670897 -2.830007
H 3.692215 0.902194 -3.132381
H 3.089792 -0.693035 -2.595819
H 3.688618 2.914932 -1.515138
H 1.952080 2.672060 -1.173735
H 3.132568 2.720988 0.172767
H 5.993723 1.483306 -1.755391
H 0.498806 0.737961 -1.017579
H 5.380588 -1.736242 2.101323
H 2.224610 -1.203663 2.728358
H 3.295362 -2.421901 1.969122
H 1.634191 -2.210751 1.354483
H 7.979448 0.497967 -0.574102
H 7.670094 -1.089938 1.327339
H 0.163253 -0.665943 1.734877
H -1.601417 0.784067 -1.394122
H -1.986142 -0.887214 2.621294
H -4.012594 0.999506 -1.550217
H -4.422798 -0.675040 2.485109
H -5.920998 1.632089 -1.290988
H -7.472016 1.256992 -0.523227
H -6.408806 0.365896 2.458900
H -6.580515 -1.233685 1.638012
H -7.722329 0.080815 1.280881
H -5.790781 -0.808040 -2.103111
H -7.171194 0.121290 -2.779247
H -8.547797 -1.142460 -1.417373


