%chk=000086415.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000086415

0 1
 O   -1.893200       1.457500      -1.316200    
 N    2.142700      0.9016000     -0.1328000    
 N   -2.513200       1.816100      0.8913000    
 N    6.652100      -2.282100      0.7201000    
 N   -5.752100      -1.993000      -1.580900    
 C   0.8089000       1.075000     -0.6947000    
 C  -0.1982000       1.371900      0.4113000    
 C    3.109500      0.5888000      -1.176000    
 C    4.494800      0.4139000     -0.6240000    
 C   -3.917900       2.022900      0.6315000    
 C   -1.608100       1.546500     -0.1250000    
 C   -4.694500      0.7392000      0.6874000    
 C    4.927100     -0.8460000     -0.2102000    
 C    5.349400       1.511800     -0.5253000    
 C    6.214300      -1.008100      0.3021000    
 C   -4.861800     -2.5900001E-02 -0.4667000    
 C   -5.248600      0.3117000       1.894000    
 C   -5.583100      -1.218700     -0.4143000    
 C    6.636600       1.349800     -1.2800000E-02
 C    7.069000      8.9800000E-02  0.4008000    
 C   -5.969900     -0.8809000       1.946500    
 C   -6.137100      -1.646100      0.7925000    
 C    5.765500      -3.275300       1.242100    
 C   -4.792200      -2.020300      -2.640800    
 H   0.8085000       1.901900      -1.415500    
 H   0.5012000      0.1694000      -1.232600    
 H  -0.2131000      0.5526000       1.140900    
 H   8.1900001E-02   2.290500      0.9417000    
 H    3.127400       1.387300      -1.929200    
 H    2.818500     -0.3257000      -1.709800    
 H    2.123700      0.1475000      0.5539000    
 H   -4.045500       2.505000     -0.3451000    
 H   -4.290000       2.728900       1.382700    
 H   -2.191200       1.853900       1.854100    
 H    4.249500      -1.690900     -0.3007000    
 H    5.024100       2.499100     -0.8426000    
 H   -4.435000      0.3274000      -1.401200    
 H   -5.123600      0.8980000       2.800600    
 H    7.301900       2.204800      6.4499997E-02
 H    8.074300     -2.2600001E-02  0.7987000    
 H   -6.400800      -1.214100       2.886200    
 H   -6.700900      -2.573900      0.8472000    
 H    7.634800      -2.359400      0.9618000    
 H   -6.389500      -2.779500      -1.506900    
 H    5.143100      -2.874300       2.048900    
 H    6.346100      -4.106700       1.655000    
 H    5.120700      -3.689100      0.4604000    
 H   -5.050500      -2.812500      -3.351100    
 H   -4.782000      -1.078100      -3.197900    
 H   -3.784900      -2.228600      -2.265300    


%chk=000086415-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000086415

0 1
O -1.673269 2.215763 -1.452555
N 2.030037 0.673677 0.106274
N -2.691064 1.885935 0.615667
N 7.499931 -2.102475 -0.026170
N -5.585474 -2.451254 -0.655144
C 0.684687 0.787076 -0.489329
C -0.250416 1.573521 0.449440
C 3.052094 0.071535 -0.777692
C 4.436011 0.068338 -0.133967
C -4.048421 2.241769 0.159628
C -1.586770 1.910134 -0.221811
C -5.062433 1.121077 0.367327
C 5.308288 -1.022888 -0.359181
C 4.860896 1.161183 0.660600
C 6.623269 -1.035610 0.191402
C -4.839650 -0.143280 -0.228942
C -6.228695 1.347695 1.135349
C -5.780958 -1.199445 -0.069506
C 6.162094 1.149602 1.215914
C 7.039819 0.073392 0.988886
C -7.168716 0.300045 1.299250
C -6.955630 -0.957676 0.710497
C 7.169018 -3.277027 -0.824898
C -4.436312 -2.785989 -1.490783
H 0.761260 1.344259 -1.440682
H 0.222419 -0.202052 -0.736035
H -0.411159 1.021367 1.397579
H 0.259548 2.522121 0.708382
H 3.075406 0.680486 -1.705569
H 2.796100 -0.969883 -1.098528
H 2.015707 0.211907 1.026594
H -3.938209 2.488085 -0.913056
H -4.389619 3.156158 0.682602
H -2.574778 1.582397 1.584110
H 4.961814 -1.866363 -0.967422
H 4.172119 1.993300 0.832504
H -3.934104 -0.294107 -0.826260
H -6.403278 2.326908 1.596067
H 6.498407 1.992672 1.831277
H 8.047231 0.079324 1.425583
H -8.074851 0.467987 1.892859
H -7.691359 -1.761312 0.844727
H 8.423049 -2.048528 0.398556
H -6.309891 -3.153734 -0.522948
H 6.305605 -3.835368 -0.406575
H 8.034633 -3.960036 -0.844783
H 6.922525 -3.010607 -1.873767
H -4.528465 -3.829270 -1.835521
H -4.369013 -2.134912 -2.386556
H -3.480732 -2.694892 -0.934793


