%chk=000082502.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000082502

0 1
 O    1.590300       1.409400      -1.129900    
 N   0.2608000       1.157800      0.7596000    
 C   -2.600000      0.3008000      0.4015000    
 C   -1.899300       1.400200     -0.4039000    
 C   -3.756000     -0.3133000     -0.3921000    
 C  -0.7785000       2.075400      0.3807000    
 C   -4.511400      -1.398500      0.3782000    
 C    2.306700     -0.1092000      0.6131000    
 C    3.532500     -0.4065000     -0.2474000    
 C    1.372300      0.8970000     -3.5500001E-02
 C    4.473300      -1.391200      0.4456000    
 C   -5.704400      -1.962000     -0.3782000    
 C    5.713600      -1.659900     -0.3916000    
 H   -2.982700      0.7202000       1.339700    
 H   -1.887200     -0.4892000      0.6654000    
 H   -1.494800      0.9702000      -1.328600    
 H   -2.631300       2.162500     -0.6965000    
 H   -4.460600      0.4798000     -0.6724000    
 H   -3.370700     -0.7388000      -1.327000    
 H  -0.3427000       2.879900     -0.2219000    
 H   -1.171500       2.521400       1.300500    
 H   -3.823300      -2.217400      0.6193000    
 H   -4.863300     -0.9881000       1.332200    
 H    1.744000      -1.032500      0.7954000    
 H    2.618800      0.2933000       1.584200    
 H    3.215400     -0.8146000      -1.215200    
 H    4.068500      0.5272000     -0.4594000    
 H   0.1684000      0.6786000       1.650700    
 H    4.778800     -0.9922000       1.420000    
 H    3.951000      -2.336800      0.6314000    
 H   -6.433200      -1.175800     -0.5991000    
 H   -5.388400      -2.413100      -1.324100    
 H   -6.203600      -2.732400      0.2176000    
 H    6.276900     -0.7377000     -0.5659000    
 H    5.445900      -2.088300      -1.362800    
 H    6.371600      -2.367700      0.1222000    


%chk=000082502-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000082502

0 1
O 1.674432 1.176083 -1.486690
N 0.330332 0.722768 0.359454
C -2.777020 0.272861 0.371534
C -1.971418 1.190161 -0.575968
C -4.090291 -0.243533 -0.258815
C -0.672109 1.756040 0.044005
C -4.907243 -1.153786 0.686725
C 2.354053 -0.654497 0.007374
C 3.847212 -0.251095 -0.033285
C 1.438305 0.489890 -0.444311
C 4.795717 -1.443510 0.218796
C -6.214483 -1.668771 0.046651
C 6.283967 -1.032917 0.190578
H -3.012709 0.824992 1.306512
H -2.155172 -0.598820 0.666230
H -1.712956 0.642465 -1.503178
H -2.606354 2.047924 -0.879369
H -4.715853 0.621461 -0.563740
H -3.855509 -0.799427 -1.190360
H -0.186855 2.446086 -0.668158
H -0.908798 2.319395 0.968518
H -4.280283 -2.015912 0.994293
H -5.143892 -0.594882 1.615371
H 2.196972 -1.500268 -0.692547
H 2.077519 -1.015846 1.018171
H 4.054204 0.198950 -1.022433
H 4.037312 0.541022 0.719052
H 0.190408 0.134118 1.181494
H 4.558934 -1.909017 1.197999
H 4.611736 -2.222723 -0.549375
H -6.873767 -0.827897 -0.240530
H -6.003905 -2.255666 -0.867308
H -6.778347 -2.317391 0.742094
H 6.502214 -0.278856 0.970231
H 6.552566 -0.590397 -0.786910
H 6.946981 -1.900507 0.363697


