%chk=000116276.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000116276

2 1
 O    5.962000       2.029500     -0.3028000    
 O   -5.979000       2.015000      0.3040000    
 N    4.396500     -0.3303000      0.2633000    
 N   -4.393700     -0.3312000     -0.2637000    
 C    3.123700     -0.3052000     -0.5806000    
 C   -3.121300     -0.2963000      0.5806000    
 C    4.464800      0.8720000       1.211900    
 C    5.652400     -0.3543000     -0.6154000    
 C   -5.649500     -0.3664000      0.6147000    
 C   -4.471800      0.8713000      -1.211300    
 C    4.364800      -1.611700       1.102500    
 C   -4.351100      -1.611500      -1.103900    
 C    1.913900     -0.3108000      0.3421000    
 C   -1.911300     -0.2907000     -0.3417000    
 C   0.6119000     -0.3329000     -0.4597000    
 C  -0.6095000     -0.3024000      0.4607000    
 C    4.751300       2.150700      0.4401000    
 C    5.869500      0.9960000      -1.280500    
 C   -5.878200      0.9814000       1.280800    
 C   -4.769100       2.146900     -0.4385000    
 C    4.297300      -2.809500      0.1806000    
 C   -4.273800      -2.809600     -0.1829000    
 H    3.127200      0.6149000      -1.172500    
 H    3.132400      -1.130100      -1.297900    
 H   -3.132500      0.6233000       1.173300    
 H   -3.123600      -1.121700       1.297300    
 H    3.577400      0.9317000       1.842300    
 H    5.315900      0.6717000       1.876300    
 H    6.499100     -0.5955000      3.7300002E-02
 H    5.539000      -1.114800      -1.391800    
 H   -6.494000     -0.6142000     -3.8500000E-02
 H   -5.530100      -1.126500       1.390400    
 H   -3.584500      0.9391000      -1.841100    
 H   -5.320900      0.6645000      -1.876200    
 H    3.567900      -1.574900       1.847900    
 H    5.306400      -1.643500       1.665800    
 H   -3.554400      -1.567400      -1.849400    
 H   -5.292200      -1.650800      -1.667400    
 H    1.872100      0.5842000      0.9673000    
 H    1.874000      -1.184400      0.9950000    
 H   -1.865700      -1.165600     -0.9924000    
 H   -1.874800      0.6030000     -0.9692000    
 H   0.5807000      -1.233500      -1.085100    
 H   0.5834000      0.5309000      -1.135400    
 H  -0.5675000      0.5865000       1.102100    
 H  -0.5921000      -1.178500       1.120700    
 H    4.888300       2.974600       1.148200    
 H    3.930400       2.438000     -0.2252000    
 H    5.087200       1.240800      -2.007000    
 H    6.817100      0.9804000      -1.829000    
 H   -5.098100       1.232100       2.007600    
 H   -6.825800      0.9575000       1.829100    
 H   -4.912800       2.970200      -1.146100    
 H   -3.950800       2.440500      0.2272000    
 H    5.121100      -2.890100     -0.5305000    
 H    3.345300      -2.910300     -0.3458000    
 H    4.370400      -3.711200      0.8024000    
 H   -3.321100      -2.902900      0.3436000    
 H   -5.097000      -2.897600      0.5279000    
 H   -4.339300      -3.711400     -0.8056000    


%chk=000116276-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000116276

2 1
O 6.054659 2.121071 -0.458032
O -6.056202 2.111122 0.459052
N 4.548223 -0.328158 0.314545
N -4.546047 -0.335433 -0.314781
C 3.186203 -0.296195 -0.420978
C -3.184103 -0.301770 0.420851
C 4.747356 0.900347 1.240155
C 5.698675 -0.314239 -0.730937
C -5.696617 -0.323811 0.730588
C -4.747004 0.893272 -1.239733
C 4.682257 -1.597915 1.204495
C -4.678046 -1.604919 -1.205404
C 1.927840 -0.337459 0.468531
C -1.925628 -0.341323 -0.468579
C 0.652132 -0.327197 -0.419751
C -0.649957 -0.328020 0.419718
C 4.913350 2.210335 0.455167
C 5.842849 1.048061 -1.431003
C -5.842866 1.037864 1.431425
C -4.914986 2.202579 -0.454030
C 4.491220 -2.933356 0.479478
C -4.485815 -2.940493 -0.480941
H 3.182167 0.617832 -1.036169
H 3.198143 -1.159250 -1.108199
H -3.181295 0.612179 1.036167
H -3.194959 -1.164928 1.107961
H 3.898542 0.940079 1.941675
H 5.670712 0.700171 1.809937
H 6.621801 -0.540367 -0.170814
H 5.508081 -1.118663 -1.459945
H -6.619341 -0.550991 0.170228
H -5.504909 -1.128378 1.459145
H -3.898251 0.934674 -1.941227
H -5.670050 0.692016 -1.809638
H 3.950394 -1.476888 2.020850
H 5.691505 -1.539025 1.647779
H -3.945877 -1.482602 -2.021295
H -5.687121 -1.547055 -1.649218
H 1.893972 0.535751 1.147380
H 1.916926 -1.246413 1.098826
H -1.913017 -1.250818 -1.098061
H -1.893337 0.531336 -1.148207
H 0.659949 -1.211764 -1.087985
H 0.664163 0.566447 -1.075859
H -0.663566 0.566113 1.075129
H -0.656218 -1.212083 1.088636
H 5.154615 3.020051 1.162008
H 3.990917 2.495231 -0.094064
H 4.979298 1.280476 -2.088719
H 6.748736 1.025237 -2.057489
H -4.979699 1.271167 2.089332
H -6.748760 1.013333 2.057835
H -5.157414 3.012325 -1.160439
H -3.993001 2.488540 0.095399
H 5.225429 -3.096962 -0.326397
H 3.474387 -3.067995 0.073635
H 4.650693 -3.738836 1.217902
H -3.469149 -3.073990 -0.074300
H -5.220495 -3.105533 0.324210
H -4.643564 -3.745781 -1.219948


