%chk=000155193.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000155193

0 1
 O   -2.080000      0.9384000      0.2104000    
 O  -0.6337000      -1.918000      -1.565600    
 O   -2.726300      -3.129500      5.6100000E-02
 O   -4.959200      -1.341000      0.3755000    
 O   0.2270000      0.1984000       1.569200    
 O    3.570400       2.765400     -0.3452000    
 O   -4.007000       2.805400      0.7740000    
 O  -0.1514000       1.731900      -2.799700    
 N   4.6399999E-02  0.7753000     -0.6790000    
 N    1.727200       2.175200      -1.576600    
 C    2.241300      0.8961000      0.4364000    
 C   -1.293500      0.2488000     -0.7568000    
 C   -1.309600      -1.256900     -0.4975000    
 C   -2.744600      -1.780900     -0.4166000    
 C   -3.603200     -0.9268000      0.5177000    
 C   -3.458400      0.5596000      0.1718000    
 C    2.922400     -0.3662000     -0.1230000    
 C   0.7447000      0.6040000      0.5271000    
 C    2.801300       1.188500       1.837500    
 C    2.659400      -1.568300      0.7779000    
 C    2.582400       2.047900     -0.4946000    
 C   0.4955000       1.551800      -1.764600    
 C    3.263300      -2.873900      0.2281000    
 C   -4.200400       1.456200       1.157800    
 C    2.185600       2.442900       2.414800    
 C    2.711300      -3.151400      -1.172400    
 C    2.989000      -4.072900       1.137100    
 H   -1.715700      0.4453000      -1.749500    
 H  -0.8015000      -1.550000      0.4248000    
 H   -3.193300      -1.818200      -1.417400    
 H   -3.307800      -1.114300       1.557100    
 H   -3.848800      0.7680000     -0.8336000    
 H    4.004200     -0.2076000     -0.2227000    
 H    2.544100     -0.5479000      -1.134000    
 H    3.892100       1.303700       1.808400    
 H    2.586400      0.3865000       2.550700    
 H    3.100900      -1.419000       1.767800    
 H    1.589500      -1.741000      0.9229000    
 H    4.351300      -2.752600      0.1503000    
 H   -3.813300       1.339000       2.175400    
 H   -5.274100       1.247900       1.162600    
 H    2.002400       2.843300      -2.291200    
 H    2.584900       2.612600       3.421400    
 H    1.098500       2.379300       2.514100    
 H    2.418500       3.338700       1.832700    
 H   0.2351000      -1.493400      -1.666500    
 H   -2.155600      -3.639800     -0.5436000    
 H   -5.240200      -1.143200     -0.5343000    
 H    3.069900      -4.122900      -1.532600    
 H    1.619500      -3.191900      -1.170100    
 H    3.043100      -2.415100      -1.908800    
 H    1.914100      -4.259200       1.234400    
 H    3.457200      -4.979900      0.7407000    
 H    3.394000      -3.897400       2.139300    
 H   -3.049600       2.976200      0.7712000    


%chk=000155193-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000155193

0 1
O -2.206471 1.041502 0.207286
O -0.847080 -2.145540 -1.294543
O -3.417801 -2.954234 -0.291426
O -5.390485 -0.885533 -0.094186
O 0.349706 -0.263143 1.510812
O 3.669276 2.668492 -0.356634
O -4.064808 3.157407 0.596535
O -0.337568 1.970246 -2.550805
N 0.011864 0.718941 -0.579641
N 1.652905 2.261148 -1.405592
C 2.296916 0.827795 0.528602
C -1.374736 0.226018 -0.694643
C -1.595617 -1.275184 -0.375619
C -3.081370 -1.570489 -0.634528
C -3.980991 -0.679387 0.235258
C -3.661900 0.803635 -0.028928
C 3.103905 -0.398379 -0.090283
C 0.815039 0.413463 0.558206
C 2.793010 1.157600 1.965968
C 3.154629 -1.670432 0.786253
C 2.604573 2.002333 -0.405937
C 0.396204 1.663567 -1.580181
C 3.617211 -2.926606 -0.006263
C -4.382544 1.765603 0.915964
C 2.106762 2.387174 2.596458
C 2.508533 -3.450951 -0.952209
C 4.060402 -4.042719 0.968825
H -1.671832 0.416906 -1.745983
H -1.344035 -1.482122 0.677673
H -3.303291 -1.382077 -1.708558
H -3.785673 -0.926409 1.301665
H -3.903212 1.057660 -1.082846
H 4.133978 -0.033732 -0.267045
H 2.673168 -0.634810 -1.083993
H 3.883805 1.325527 1.907117
H 2.612533 0.273293 2.599429
H 3.855046 -1.502084 1.625912
H 2.165714 -1.875954 1.241541
H 4.494196 -2.642868 -0.626639
H -4.110210 1.519857 1.964849
H -5.470150 1.657717 0.787583
H 1.886876 2.981563 -2.097562
H 2.503560 2.562643 3.612050
H 1.016015 2.236577 2.690094
H 2.292039 3.303535 2.007768
H 0.044437 -2.350409 -0.916202
H -2.824070 -3.545278 -0.821910
H -5.553267 -1.864612 -0.080162
H 2.866291 -4.308659 -1.550041
H 1.640002 -3.806844 -0.360031
H 2.166632 -2.679306 -1.669159
H 3.228021 -4.330504 1.639668
H 4.381024 -4.948349 0.421509
H 4.904452 -3.711518 1.601416
H -3.075913 3.235031 0.572406


