%chk=000050373.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000050373

0 1
 O   -1.125800     -0.1859000      6.0999999E-03
 O    2.688100       1.601300     -0.2683000    
 O    1.066900       1.438900       1.369400    
 O   -2.404800      -1.618200       1.275600    
 N    2.057000      -2.374600      -1.171000    
 C    2.490000      -1.203400     -0.3822000    
 C    1.229800      -3.127600     -0.2090000    
 C    1.266200     -0.2582000     -0.3307000    
 C    2.854600      -1.793800      0.9890000    
 C    2.014000      -3.066000       1.104100    
 C  -0.1132000      -2.379300     -0.1067000    
 C   5.0799999E-02 -0.9173000      0.3427000    
 C    3.177100      -3.156100      -1.688700    
 C    1.637600       1.015200      0.3734000    
 C   -2.286300     -0.6481000      0.5433000    
 C    3.147400       2.831400      0.3006000    
 C   -3.431600      0.1954000      0.1173000    
 C    4.313600       3.350500     -0.5264000    
 C   -4.678100     -0.3841000     -2.9000000E-03
 C   -3.214000       1.532600     -0.1445000    
 C    4.865100       4.651300      2.9100001E-02
 C   -5.754100      0.4083000     -0.4029000    
 C   -4.290200       2.324900     -0.5443000    
 C   -5.560200       1.762700     -0.6734000    
 H    3.348500     -0.6993000     -0.8403000    
 H    1.040600      -4.158800     -0.5281000    
 H   0.9788000      3.5599999E-02  -1.351200    
 H    3.918900      -2.056300       1.022900    
 H    2.664100      -1.106800       1.819400    
 H    1.364900      -3.047100       1.985700    
 H    2.676400      -3.934200       1.201300    
 H  -0.7377000      -2.946700      0.5899000    
 H  -0.6280000      -2.417000      -1.076600    
 H   0.1661000     -0.8898000       1.434800    
 H    3.854300      -3.530100     -0.9141000    
 H    2.803600      -4.016300      -2.255100    
 H    3.764500      -2.551600      -2.388500    
 H    3.467600       2.653300       1.333900    
 H    2.328300       3.560000      0.2967000    
 H    3.992400       3.494700      -1.564900    
 H    5.106600       2.593800     -0.5590000    
 H   -4.840800      -1.438100      0.2017000    
 H   -2.238300       1.997500     -3.8300000E-02
 H    4.097700       5.431900      3.4800000E-02
 H    5.701100       5.001500     -0.5843000    
 H    5.227700       4.518100       1.053300    
 H   -6.743000     -2.9500000E-02 -0.5042000    
 H   -4.140200       3.380400     -0.7521000    
 H   -6.398100       2.379800     -0.9842000    


%chk=000050373-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000050373

0 1
O -0.916264 -0.349027 -0.213608
O 2.409665 1.646778 -0.226443
O 1.575398 0.791020 1.773079
O -2.240090 -1.291114 1.463657
N 2.357570 -2.682244 -1.205147
C 2.687824 -1.592165 -0.238071
C 1.329183 -3.459219 -0.435923
C 1.495763 -0.569666 -0.297518
C 2.806584 -2.292213 1.164607
C 1.903858 -3.564862 1.024091
C 0.010175 -2.647291 -0.485020
C 0.204175 -1.265582 0.170418
C 3.533344 -3.481706 -1.622810
C 1.795051 0.660206 0.544898
C -2.094161 -0.458696 0.533210
C 2.803959 2.898237 0.490200
C -3.131171 0.518025 0.087446
C 3.441675 3.824909 -0.545779
C -4.376317 0.523466 0.768513
C -2.905326 1.423263 -0.982135
C 3.883499 5.161314 0.091447
C -5.387349 1.427275 0.383796
C -3.920657 2.325485 -1.364050
C -5.161701 2.329745 -0.683354
H 3.612943 -1.075438 -0.544909
H 1.173268 -4.446040 -0.904735
H 1.398346 -0.263515 -1.352313
H 3.856780 -2.569323 1.362961
H 2.480607 -1.629083 1.984342
H 1.097140 -3.592776 1.777329
H 2.497641 -4.488442 1.141949
H -0.802151 -3.187265 0.032920
H -0.273664 -2.509203 -1.543897
H 0.188404 -1.349517 1.272009
H 4.086608 -3.971891 -0.786450
H 3.201581 -4.269939 -2.321386
H 4.240769 -2.828511 -2.163736
H 3.504210 2.632876 1.304357
H 1.898074 3.338385 0.947010
H 2.715114 4.011178 -1.358458
H 4.310415 3.314582 -1.002398
H -4.525844 -0.183590 1.591229
H -1.941620 1.408506 -1.498477
H 3.023565 5.703225 0.527364
H 4.347991 5.819625 -0.663658
H 4.623297 4.998313 0.897359
H -6.347181 1.430826 0.911521
H -3.746980 3.023977 -2.189900
H -5.948096 3.032001 -0.982434


