%chk=000146599.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000146599

0 1
 O    2.444400     -0.2628000      0.1408000    
 O   -1.218800      -4.321600     -2.6400000E-02
 O    1.106300      -4.813400     -0.4213000    
 O   -2.745900       1.354200       1.911400    
 O   -5.030600       2.132600      0.5603000    
 N    3.133300       1.983800      0.3016000    
 C    2.133400       1.013100      0.7211000    
 C   0.7770000       1.526800      0.2173000    
 C  -0.3639000      0.5502000      0.5482000    
 C    3.183100       2.141700      -1.151600    
 C    4.488600       1.591900      0.6877000    
 C    4.503200       2.865900      -1.370200    
 C    5.362400       2.501700     -0.1632000    
 C    2.211500      0.9084000       2.252700    
 C   6.8899997E-02 -0.8793000      0.2802000    
 C    1.435000      -1.189600      9.0599999E-02
 C   -1.634100      0.9824000     -0.1729000    
 C  -0.8755000      -1.923500      0.2757000    
 C    1.848800      -2.502700     -0.1706000    
 C  -0.4373000      -3.208600      2.7200000E-02
 C   -2.762600       1.363700      0.5479000    
 C   0.8876000      -3.489400     -0.1965000    
 C   -1.651100      0.9917000      -1.565000    
 C   -3.917200       1.757000     -0.1289000    
 C   -2.805600       1.385000      -2.241500    
 C  -0.2343000      -5.334700     -0.3162000    
 C   -3.938800       1.767700      -1.523500    
 C   -5.968200       1.108000      0.8849000    
 H   0.8000000       1.635900     -0.8714000    
 H   0.5487000       2.518600      0.6315000    
 H  -0.5049000      0.6074000       1.631500    
 H    3.202700       1.187600      -1.692600    
 H    2.375700       2.761800      -1.552800    
 H    4.700900       1.765500       1.747300    
 H    4.722800      0.5472000      0.4484000    
 H    4.353600       3.951600      -1.403500    
 H    4.976800       2.563600      -2.309800    
 H    6.289800       2.002900     -0.4626000    
 H    5.632400       3.410900      0.3869000    
 H    3.140700      0.4371000       2.592300    
 H    2.110500       1.887900       2.733800    
 H    1.422500      0.2650000       2.655800    
 H   -1.928600      -1.735200      0.4574000    
 H    2.895500      -2.739500     -0.3318000    
 H  -0.7872000      0.6835000      -2.147300    
 H   -2.823800       1.390000      -3.327400    
 H  -0.2574000      -6.085100      0.4823000    
 H  -0.4976000      -5.819800      -1.263100    
 H   -4.834700       2.072600      -2.057400    
 H   -2.341300      0.5231000       2.211100    
 H   -5.501100      0.3419000       1.511800    
 H   -6.370400      0.6542000     -2.6400000E-02
 H   -6.792000       1.561700       1.442700    


%chk=000146599-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000146599

0 1
O 2.430488 -0.362630 0.019276
O -0.991865 -4.751304 -0.536082
O 1.363333 -5.064477 -0.865479
O -2.598872 1.856029 1.684994
O -4.889966 2.681818 0.207946
N 2.963441 1.965204 0.385177
C 1.993876 0.983056 0.737263
C 0.596852 1.324015 0.177017
C -0.469465 0.221166 0.436816
C 3.081308 2.392456 -1.047654
C 4.308706 1.968537 1.028553
C 4.581095 2.739867 -1.240093
C 5.087527 3.008838 0.199099
C 1.992336 0.661263 2.241018
C 0.072729 -1.166181 0.081898
C 1.472168 -1.376902 -0.095987
C -1.761541 0.608654 -0.296691
C -0.821255 -2.274809 -0.025285
C 1.999133 -2.665650 -0.416370
C -0.293213 -3.526091 -0.323351
C -2.742710 1.410136 0.350719
C 1.092458 -3.714135 -0.522931
C -1.946312 0.282838 -1.663582
C -3.909568 1.840206 -0.346942
C -3.082408 0.729278 -2.368217
C 0.075914 -5.775620 -0.632319
C -4.063613 1.499635 -1.707953
C -5.476169 2.300171 1.509392
H 0.675880 1.468645 -0.914381
H 0.263204 2.285801 0.608490
H -0.674601 0.196318 1.535103
H 2.774673 1.576378 -1.729678
H 2.435945 3.271089 -1.240882
H 4.237855 2.255483 2.092501
H 4.799883 0.972540 0.964928
H 4.728866 3.598821 -1.916289
H 5.117166 1.872575 -1.666802
H 6.179987 2.893623 0.302130
H 4.812219 4.029907 0.521376
H 2.991760 0.336083 2.570288
H 1.696266 1.550993 2.825805
H 1.294544 -0.163075 2.460186
H -1.898074 -2.130140 0.098728
H 3.073982 -2.795094 -0.556851
H -1.193004 -0.334521 -2.164297
H -3.211770 0.471244 -3.424290
H 0.142513 -6.325734 0.326701
H -0.130213 -6.430697 -1.492063
H -4.960527 1.856788 -2.223224
H -1.779757 1.472341 2.087973
H -4.716474 2.315317 2.307265
H -5.937244 1.295158 1.444710
H -6.254288 3.055390 1.698842


