%chk=000124716.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000124716

0 1
 O    2.314100      -1.396500       2.267000    
 O    3.058400      -2.545300      -1.236900    
 N   -1.550800      8.4500000E-02  4.3499999E-02
 N    2.620400     -0.4142000     -0.3196000    
 C    1.298900     -0.7054000      0.2148000    
 C   0.7300000      0.5667000      0.8727000    
 C   0.3696000      -1.126100     -0.9403000    
 C  -0.7559000      0.4469000       1.223300    
 C   -1.104300      -1.190900     -0.5303000    
 C    1.445500      -1.837900       1.243100    
 C   -2.972600      2.4800001E-02  0.3820000    
 C    3.168400      0.9226000     -0.1371000    
 C    3.398600      -1.380900      -1.012400    
 C   -3.840300      0.2802000     -0.8509000    
 C    4.778500     -0.9083000      -1.461100    
 C    2.932000       1.909800      -1.093900    
 C    3.929000       1.216400      0.9948000    
 C   -5.309100      0.2436000     -0.5111000    
 C    2.504400      -2.393200       3.266300    
 C    5.555000      -1.981600      -2.208800    
 C    3.456400       3.190400     -0.9192000    
 C    4.453300       2.497200       1.169500    
 C   -6.011700     -0.9594000     -0.5828000    
 C   -5.965100       1.412400     -0.1247000    
 C    4.217000       3.484200      0.2125000    
 C   -7.370200     -0.9934000     -0.2683000    
 C   -7.323700       1.378200      0.1898000    
 C   -8.026100      0.1752000      0.1180000    
 H    1.269800      0.8449000       1.785700    
 H   0.7754000       1.427300      0.1953000    
 H   0.4692000     -0.4133000      -1.771300    
 H   0.6514000      -2.104100      -1.346400    
 H  -0.8994000     -0.2785000       2.033900    
 H   -1.086300       1.420800       1.606300    
 H   -1.680800      -1.429200      -1.431000    
 H   -1.261800      -2.018400      0.1729000    
 H   0.4769000      -2.090600       1.688400    
 H    1.837400      -2.758900      0.8004000    
 H   -3.214300      0.8087000       1.113300    
 H   -3.234100     -0.9254000      0.8669000    
 H   -3.594000       1.255100      -1.292500    
 H   -3.646500     -0.4584000      -1.637800    
 H    4.669700     -4.6999998E-02  -2.127200    
 H    5.363100     -0.6151000     -0.5836000    
 H    2.342000       1.691000      -1.980100    
 H    4.130600      0.4569000       1.744400    
 H    3.180200      -1.991700       4.026000    
 H    2.958800      -3.288600       2.831500    
 H    1.551700      -2.644600       3.742400    
 H    5.016800      -2.303100      -3.106600    
 H    5.715500      -2.862500      -1.578400    
 H    6.533500      -1.599200      -2.515600    
 H    3.272800       3.958700      -1.664500    
 H    5.047500       2.725300       2.049600    
 H   -5.511100      -1.876900     -0.8804000    
 H   -5.428200       2.355300     -6.3299999E-02
 H    4.625900       4.481100      0.3483000    
 H   -7.917100      -1.930100     -0.3236000    
 H   -7.834600       2.288100      0.4912000    
 H   -9.083900      0.1485000      0.3633000    


%chk=000124716-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000124716

0 1
O 2.262674 -1.369865 2.288274
O 2.977070 -2.411457 -1.370722
N -1.615721 0.035374 0.037119
N 2.683788 -0.289670 -0.422302
C 1.309334 -0.647054 0.142583
C 0.684359 0.587353 0.852566
C 0.367818 -1.043472 -1.037383
C -0.792624 0.357700 1.228651
C -1.109869 -1.191296 -0.624451
C 1.469913 -1.825372 1.135548
C -3.059871 -0.026613 0.363153
C 3.269441 1.009819 -0.137629
C 3.427367 -1.244326 -1.129433
C -3.969370 -0.000633 -0.895556
C 4.832287 -0.830450 -1.600014
C 3.267824 2.019587 -1.130061
C 3.848158 1.265586 1.129513
C -5.439096 0.104688 -0.518429
C 2.523559 -2.459134 3.225791
C 5.624290 -2.021441 -2.168194
C 3.852521 3.277706 -0.861394
C 4.429479 2.525405 1.395213
C -6.202602 -1.056403 -0.229830
C -6.069467 1.371022 -0.403800
C 4.436598 3.533034 0.401441
C -7.557001 -0.957012 0.161553
C -7.423669 1.476562 -0.013621
C -8.172899 0.311378 0.271717
H 1.251967 0.831694 1.765753
H 0.732518 1.456709 0.172576
H 0.437564 -0.238891 -1.793889
H 0.726296 -1.976646 -1.502140
H -0.872158 -0.440211 2.012649
H -1.186284 1.286973 1.681577
H -1.702286 -1.380151 -1.537271
H -1.243743 -2.088786 0.037282
H 0.470718 -2.159928 1.485800
H 1.974181 -2.670717 0.630507
H -3.303026 0.857102 0.983743
H -3.313341 -0.930989 0.976848
H -3.658639 0.860689 -1.515241
H -3.802660 -0.915786 -1.493872
H 4.735107 -0.037133 -2.367157
H 5.379753 -0.359609 -0.761412
H 2.804161 1.815231 -2.101870
H 3.815530 0.472121 1.884172
H 3.120816 -2.031124 4.046965
H 3.092422 -3.281569 2.743110
H 1.578995 -2.874555 3.638088
H 5.076402 -2.499064 -2.997407
H 5.784165 -2.795312 -1.397649
H 6.609676 -1.683063 -2.537184
H 3.847824 4.056029 -1.632680
H 4.876103 2.720724 2.376750
H -5.733652 -2.044430 -0.321727
H -5.494919 2.278338 -0.629757
H 4.889024 4.509003 0.610008
H -8.132073 -1.865230 0.376112
H -7.894888 2.463292 0.063031
H -9.224044 0.390373 0.571381


