%chk=000114360.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000114360

0 1
 O   -4.202500       1.869500       1.150900    
 O   -5.907700       1.080900     -0.8970000    
 N  -0.2007000      -1.240200      0.5863000    
 N    2.469300     -0.3731000      5.8499999E-02
 C   0.1107000     -0.4977000     -0.6410000    
 C   0.9414000      -2.081900      0.9642000    
 C    1.332000      0.4037000     -0.4441000    
 C    2.189600      -1.232800       1.215500    
 C   -1.400300      -2.056100      0.4022000    
 C    3.769400      0.1215000     -9.4300002E-02
 C   -2.602000      -1.217000      5.7900000E-02
 C    4.020400       1.508000     -0.1186000    
 C    4.866900     -0.7522000     -0.2287000    
 C   -2.848100     -5.1800001E-02  0.7704000    
 C   -3.446600      -1.621000     -0.9666000    
 C   -3.961900      0.7254000      0.4519000    
 C    5.316400       2.000800     -0.2716000    
 C    6.162900     -0.2593000     -0.3814000    
 C   -4.560200     -0.8439000      -1.285000    
 C   -4.817700      0.3294000     -0.5760000    
 C    6.387500       1.117300     -0.4029000    
 C   -3.619000       3.070500      0.6494000    
 H  -0.7083000      0.1567000     -0.9570000    
 H   0.3035000      -1.191900      -1.470900    
 H    1.154100      -2.823300      0.1820000    
 H   0.7123000      -2.633900       1.883800    
 H    1.575300      0.8633000      -1.410200    
 H    1.087400       1.207400      0.2624000    
 H    2.046800     -0.6051000       2.104700    
 H    3.025100      -1.909600       1.428500    
 H   -1.634200      -2.593700       1.330500    
 H   -1.231900      -2.816400     -0.3726000    
 H    3.212800       2.227000     -6.3999998E-03
 H    4.714800      -1.829300     -0.2279000    
 H   -2.197900      0.2613000       1.583200    
 H   -3.257400      -2.533000      -1.525500    
 H    5.492100       3.072500     -0.2856000    
 H    6.996800     -0.9471000     -0.4866000    
 H   -5.223100      -1.157700      -2.086700    
 H    7.396600       1.500900     -0.5220000    
 H   -5.956200       1.833500     -0.2827000    
 H   -3.962600       3.273700     -0.3698000    
 H   -2.526700       3.001100      0.6699000    
 H   -3.929100       3.897200       1.294300    


%chk=000114360-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000114360

0 1
O -4.380324 2.109504 0.732036
O -6.170149 1.128020 -0.998510
N -0.232292 -1.179157 0.312753
N 2.523959 -0.352348 -0.042835
C 0.234168 -0.612358 -0.974744
C 0.871330 -1.928764 0.955953
C 1.432075 0.329903 -0.765242
C 2.065887 -0.995906 1.211011
C -1.466873 -1.990625 0.167272
C 3.844616 0.160253 -0.128143
C -2.692451 -1.151631 -0.177645
C 4.141452 1.352689 -0.857739
C 4.939783 -0.526717 0.482968
C -2.891099 0.101190 0.462430
C -3.662229 -1.621418 -1.091674
C -4.045605 0.850512 0.183519
C 5.468093 1.819182 -0.978759
C 6.257615 -0.045385 0.363038
C -4.829156 -0.868677 -1.369103
C -5.025711 0.367899 -0.732826
C 6.541053 1.131290 -0.370792
C -3.446335 2.694603 1.694502
H -0.594652 -0.046933 -1.436319
H 0.533988 -1.425489 -1.684126
H 1.209392 -2.789006 0.323504
H 0.514903 -2.331630 1.922793
H 1.796413 0.642111 -1.758945
H 1.092157 1.240761 -0.218151
H 1.758351 -0.219338 1.949197
H 2.885738 -1.578696 1.657395
H -1.627964 -2.501750 1.138646
H -1.348677 -2.797068 -0.600507
H 3.339225 1.936184 -1.318181
H 4.770529 -1.459005 1.030863
H -2.116490 0.458495 1.148558
H -3.511889 -2.582905 -1.596311
H 5.657917 2.738638 -1.545290
H 7.072799 -0.603541 0.838672
H -5.585312 -1.222974 -2.075757
H 7.568007 1.499364 -0.463424
H -6.121498 1.960923 -0.457834
H -2.457119 2.869088 1.229701
H -3.330154 2.040435 2.579642
H -3.893470 3.653878 1.993804


