%chk=000106636.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000106636

0 1
 O  -4.3900002E-02  0.1214000      5.9200000E-02
 N   -4.882600      0.3458000      3.3599999E-02
 N   -9.796000      0.7013000     -6.0699999E-02
 C    4.868600      0.3592000      0.1008000    
 C    3.651000     -0.5628000      4.6999999E-03
 C    6.204300     -0.3856000      2.0600000E-02
 C    2.348100      0.2332000      6.6600002E-02
 C    7.421000      0.5421000      4.2500000E-02
 C    1.130000     -0.6779000      1.3300000E-02
 C    8.721700     -0.2476000     -0.1129000    
 C   -2.436500      0.2391000      6.5200001E-02
 C   -1.220100     -0.6753000      1.2500000E-02
 C   -3.737100     -0.5553000      2.9000000E-03
 C   -6.132000     -0.3989000     -3.5799999E-02
 C   -7.351500      0.5251000     -1.4500000E-02
 C    9.932600      0.6716000     -0.1303000    
 C   -8.677600     -0.2355000     -6.7699999E-02
 H    4.823200       1.097900     -0.7093000    
 H    4.828000      0.9201000       1.042700    
 H    3.692100      -1.129500     -0.9331000    
 H    3.680200      -1.290500      0.8246000    
 H    6.222800     -0.9800000     -0.9015000    
 H    6.271900      -1.094600      0.8550000    
 H    2.311500      0.8321000      0.9853000    
 H    2.302600      0.9515000     -0.7616000    
 H    7.337000       1.273400     -0.7705000    
 H    7.437000       1.104800      0.9835000    
 H    1.138800      -1.366900      0.8660000    
 H    1.139200      -1.262800     -0.9140000    
 H    8.698300     -0.8259000      -1.043900    
 H    8.823000     -0.9631000      0.7113000    
 H   -2.384900      0.9554000     -0.7651000    
 H   -2.396100      0.8408000      0.9825000    
 H   -1.230900      -1.364200      0.8654000    
 H   -1.229400      -1.260100     -0.9148000    
 H   -3.778500      -1.251600      0.8494000    
 H   -3.751700      -1.147000     -0.9204000    
 H   -6.200500      -1.095600      0.8089000    
 H   -6.160000     -0.9932000     -0.9574000    
 H   -4.860600      0.9050000      0.8859000    
 H   -7.293600       1.217200     -0.8653000    
 H   -7.322400       1.139800      0.8952000    
 H    9.877400       1.377600     -0.9651000    
 H    10.85100      8.6499996E-02 -0.2404000    
 H    10.00370       1.244000      0.8000000    
 H   -8.761100     -0.9102000      0.7913000    
 H   -8.725300     -0.8436000     -0.9772000    
 H   -10.67200      0.1808000     -4.5000002E-02
 H   -9.776300       1.253000      0.7961000    


%chk=000106636-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000106636

0 1
O -0.059191 -0.034029 -0.019307
N -4.963076 0.213026 -0.023173
N -9.875999 0.967697 0.134026
C 4.929312 0.369506 0.003368
C 3.722765 -0.595475 -0.026682
C 6.292021 -0.359110 -0.013219
C 2.362428 0.138341 -0.007835
C 7.501996 0.601725 0.012416
C 1.175243 -0.828531 -0.042469
C 8.863923 -0.129689 -0.004616
C -2.480233 0.062498 -0.040290
C -1.264371 -0.869266 -0.054007
C -3.812206 -0.713486 -0.044923
C -6.285788 -0.447799 -0.014162
C -7.424653 0.587886 0.042305
C 10.068199 0.836375 0.019530
C -8.821991 -0.064502 0.064476
H 4.869964 1.057137 -0.865890
H 4.865243 1.008016 0.909065
H 3.788974 -1.232127 -0.934075
H 3.785781 -1.284086 0.842176
H 6.353372 -1.000364 -0.917706
H 6.351130 -1.045293 0.857813
H 2.281883 0.766023 0.900822
H 2.287617 0.822381 -0.875286
H 7.445369 1.287990 -0.858518
H 7.443477 1.243281 0.916721
H 1.201724 -1.514802 0.835813
H 1.205795 -1.455025 -0.964085
H 8.920636 -0.771184 -0.907900
H 8.919665 -0.814681 0.866207
H -2.442923 0.731949 -0.918130
H -2.418437 0.705360 0.860721
H -1.278648 -1.551882 0.827555
H -1.263652 -1.501027 -0.972508
H -3.824532 -1.436959 0.813225
H -3.884141 -1.322760 -0.969055
H -6.399018 -1.171945 0.835823
H -6.376151 -1.042571 -0.945993
H -4.880111 0.892286 0.747642
H -7.354896 1.267227 -0.825667
H -7.303574 1.214671 0.953562
H 10.051170 1.512108 -0.856535
H 11.028886 0.289172 0.005611
H 10.051599 1.467425 0.928349
H -8.858303 -0.807083 0.901475
H -8.966112 -0.635736 -0.873342
H -10.827950 0.615346 -0.003582
H -9.807815 1.572986 0.958752


