%chk=000052257.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000052257

0 1
 O   7.4199997E-02 -0.9399000      6.6699997E-02
 O    1.532500      0.9810000      0.7217000    
 O   0.8799000      -2.083900      -1.761300    
 N   -3.594000     -0.9047000      0.3491000    
 C   -4.090000     -5.2999998E-03 -0.6923000    
 C   -4.508200     -0.7213000       1.476100    
 C   -5.597100     -0.2016000     -0.6221000    
 C   -5.872400     -0.6687000      0.8040000    
 C   -2.209900     -0.6314000      0.7063000    
 C   -1.261800      -1.245300     -0.3113000    
 C    1.051800      -1.422200     -0.7494000    
 C    2.394700      -1.037600     -0.2463000    
 C   0.6040000       3.167900      0.3933000    
 C    1.825200       2.372200      0.8317000    
 C   0.2113000       2.849800      -1.046600    
 C    2.579700      0.1465000      0.4677000    
 C    3.479900      -1.877400     -0.4972000    
 C   -1.034200       3.613900      -1.466300    
 C    3.849800      0.4904000      0.9307000    
 C    4.749800      -1.533200     -3.4100000E-02
 C    4.934800     -0.3494000      0.6797000    
 H   -3.706600     -0.2574000      -1.685600    
 H   -3.845400       1.043300     -0.4790000    
 H   -4.316700      0.2229000       2.002300    
 H   -4.446400      -1.542200       2.197300    
 H   -6.134200      0.7231000     -0.8567000    
 H   -5.923600     -0.9698000      -1.332900    
 H   -6.336500      -1.661800      0.7858000    
 H   -6.552200      1.0200000E-02   1.328900    
 H   -2.009600      0.4413000      0.8286000    
 H   -1.976900      -1.083400       1.680200    
 H   -1.391800      -2.334100     -0.3434000    
 H   -1.445300     -0.8346000      -1.310900    
 H   0.8057000       4.239600      0.5028000    
 H  -0.2384000       2.920500       1.051100    
 H    2.666300       2.668000      0.1912000    
 H    2.060600       2.609000       1.875400    
 H   1.5500000E-02   1.778500      -1.166600    
 H    1.036000       3.105100      -1.722000    
 H    3.353500      -2.805300      -1.048700    
 H  -0.8745000       4.694500      -1.394700    
 H   -1.293200       3.376500      -2.502900    
 H   -1.888000       3.349000     -0.8343000    
 H    4.035500       1.385600       1.516500    
 H    5.594400      -2.188300     -0.2273000    
 H    5.922600     -8.5699998E-02   1.046200    


%chk=000052257-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000052257

0 1
O 0.071863 -0.870929 0.017690
O 1.793261 1.070404 0.453078
O 0.881866 -2.940508 -0.643085
N -3.653606 -0.703656 0.218978
C -4.210679 -0.998387 -1.130289
C -4.593271 0.278662 0.819391
C -5.752518 -1.011993 -0.920191
C -5.981831 -0.290489 0.450741
C -2.244477 -0.272253 0.238205
C -1.303631 -1.428386 -0.115738
C 1.106013 -1.753076 -0.280775
C 2.481372 -1.184359 -0.131206
C 0.795693 3.213198 0.921951
C 2.129240 2.477105 0.768279
C -0.037070 3.247105 -0.379249
C 2.822826 0.164900 0.218739
C 3.537100 -2.105714 -0.374708
C -1.408261 3.927909 -0.184899
C 4.193043 0.536153 0.312639
C 4.890074 -1.735275 -0.279679
C 5.212978 -0.403748 0.067382
H -3.827774 -1.959785 -1.515070
H -3.925486 -0.199771 -1.863545
H -4.461501 1.300970 0.375563
H -4.428907 0.357591 1.908892
H -6.264056 -0.493546 -1.749857
H -6.139695 -2.044160 -0.884582
H -6.302227 -1.019163 1.214777
H -6.748405 0.501583 0.391648
H -2.054987 0.583062 -0.461137
H -1.995261 0.075933 1.257431
H -1.429155 -2.277351 0.578735
H -1.438594 -1.797658 -1.148192
H 1.010344 4.247167 1.262529
H 0.212420 2.721822 1.724708
H 2.732214 2.908085 -0.058447
H 2.720771 2.514231 1.705986
H -0.176486 2.208648 -0.732152
H 0.535662 3.779054 -1.166691
H 3.247618 -3.126844 -0.643462
H -1.294134 4.969186 0.172749
H -1.979669 3.957524 -1.130690
H -2.017856 3.381728 0.560259
H 4.466573 1.560372 0.578864
H 5.678816 -2.468951 -0.472015
H 6.260589 -0.092085 0.147843


