%chk=000042370.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000042370

0 1
 O   -1.588000      0.3671000      0.4774000    
 O   -2.131800      -1.040700      -1.260900    
 N  -6.1700001E-02  -2.693100     -0.7484000    
 C  -0.1899000      -1.534300      0.1551000    
 C   -2.709100       1.194400      0.1512000    
 C    1.080500     -0.6844000      7.3200002E-02
 C   -1.411800     -0.7328000     -0.3185000    
 C  -0.5274000      -2.088200       1.552900    
 C   -3.981600      0.3564000      0.2666000    
 C   -2.734200       2.349700       1.149700    
 C   -2.529100       1.718600      -1.272600    
 C    1.462700     -0.1891000      -1.151800    
 C    1.790200     -0.4489000       1.227700    
 C    3.362700      0.8431000     -7.4199997E-02
 C    2.620300      0.5857000      -1.226500    
 C    2.947700      0.3259000       1.153000    
 C    4.600600       1.670700     -0.1540000    
 H  -0.6805000      -1.291200       2.290600    
 H   -1.462500      -2.663500       1.532900    
 H   0.2556000      -2.757800       1.928900    
 H   -3.970100     -0.2513000       1.178900    
 H   -4.864400       1.005800      0.3075000    
 H   -4.156600     -0.3230000     -0.5713000    
 H   -1.801100       2.922900       1.103400    
 H   -2.815500       1.973800       2.176100    
 H   -3.569700       3.032200      0.9636000    
 H   -3.212300       2.555300      -1.461500    
 H   -1.505800       2.078800      -1.430400    
 H   -2.735800      0.9863000      -2.057000    
 H  -3.1900000E-02  -2.388400      -1.720600    
 H  -0.8834000      -3.291500     -0.6673000    
 H   0.8930000     -0.3691000      -2.057900    
 H    1.509600     -0.8288000       2.202200    
 H    2.933100      0.9837000      -2.188300    
 H    3.519300      0.5182000       2.057300    
 H    5.468800       1.031000     -0.3410000    
 H    4.530100       2.410800     -0.9585000    
 H    4.766300       2.224500      0.7764000    


%chk=000042370-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000042370

0 1
O -1.780906 0.200065 0.516071
O -1.927447 -1.056835 -1.456596
N 0.034736 -2.876959 -0.529407
C -0.202779 -1.647306 0.254845
C -2.861120 1.218377 0.129987
C 1.052463 -0.750929 0.140763
C -1.403220 -0.818756 -0.340089
C -0.544467 -2.061061 1.704096
C -4.203948 0.486202 -0.059340
C -2.882648 2.138382 1.361682
C -2.406702 1.971844 -1.135206
C 1.399643 -0.214262 -1.127305
C 1.888280 -0.450995 1.240693
C 3.400367 0.874172 -0.190287
C 2.552395 0.581742 -1.289286
C 3.041157 0.348696 1.075935
C 4.660703 1.703566 -0.368267
H -0.728113 -1.184295 2.344546
H -1.455740 -2.687518 1.711936
H 0.280990 -2.667036 2.112950
H -4.460016 -0.093395 0.845419
H -5.005092 1.229026 -0.229305
H -4.164906 -0.194999 -0.923662
H -1.891949 2.598157 1.518799
H -3.150106 1.568176 2.268069
H -3.627135 2.942196 1.218537
H -3.116627 2.792477 -1.346449
H -1.405197 2.411570 -0.982515
H -2.375137 1.300114 -2.007429
H 0.400695 -2.689524 -1.469763
H -0.799021 -3.476120 -0.580896
H 0.755120 -0.403887 -1.995957
H 1.647105 -0.837344 2.235343
H 2.796022 0.985508 -2.279883
H 3.673000 0.566925 1.946056
H 5.527343 1.060472 -0.617459
H 4.552023 2.437389 -1.186527
H 4.916539 2.254966 0.553798


