%chk=000039748.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000039748

0 1
 O   -2.296700      1.6500000E-02  0.1434000    
 O   -3.782000       2.469300      7.8000002E-02
 N   0.3834000      -1.000400      0.1532000    
 C   -2.025800      -1.377600      0.4460000    
 C   -3.244800      -2.219000      3.6600001E-02
 C  -0.7566000      -1.801000     -0.2750000    
 C   -4.278100      -1.159700      5.3800002E-02
 C   -3.665400      8.3600000E-02  8.9599997E-02
 C    1.598500      -1.416800     -0.5332000    
 C    2.790500     -0.5928000     -4.9100000E-02
 C   -5.654400      -1.270600     -1.8999999E-02
 C   -4.391200       1.258100      5.0700001E-02
 C    4.082000      -1.030900     -0.7443000    
 C   -6.410300     -9.5600002E-02 -4.6000000E-02
 C   -5.782400       1.160700     -1.2900000E-02
 C    5.261200     -0.2015000     -0.3042000    
 C    5.578600      0.9556000      -1.000000    
 C    6.010800     -0.6088000      0.7896000    
 C   -4.621400       3.625100      3.3599999E-02
 C    6.670200       1.722800     -0.5930000    
 C    7.102200      0.1585000       1.196700    
 C    7.431900       1.324300      0.5054000    
 H   -1.879300      -1.446100       1.534000    
 H   -3.147000      -2.632200     -0.9728000    
 H   -3.436200      -3.024300      0.7511000    
 H  -0.5681000      -2.862500     -7.5000003E-02
 H  -0.8956000      -1.676400      -1.356500    
 H   0.2009000     -1.4000000E-02 -2.9300001E-02
 H    1.795000      -2.477700     -0.3366000    
 H    1.484800      -1.291000      -1.616800    
 H    2.607200      0.4723000     -0.2433000    
 H    2.900300     -0.7006000       1.038000    
 H   -6.139200      -2.239800     -6.1200000E-02
 H    3.968800     -0.9554000      -1.833600    
 H    4.280500      -2.090700     -0.5388000    
 H   -7.494200     -0.1538000     -0.1007000    
 H   -6.441000       2.022800     -4.2500000E-02
 H    4.990500       1.275500      -1.855400    
 H    5.761000      -1.514000       1.335600    
 H   -3.966600       4.502100      6.0899999E-02
 H   -5.186800       3.673400     -0.9031000    
 H   -5.272200       3.680900      0.9127000    
 H    6.926600       2.630800      -1.130900    
 H    7.695100     -0.1514000       2.052300    
 H    8.281600       1.921800      0.8225000    


%chk=000039748-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000039748

0 1
O -2.337645 -0.265022 1.002787
O -3.347746 2.318852 0.398677
N 0.263012 -1.294517 0.379964
C -2.079991 -1.766000 0.987535
C -3.433285 -2.434526 0.599072
C -0.950494 -2.025742 -0.016402
C -4.279411 -1.262865 0.114912
C -3.584783 -0.069196 0.388655
C 1.411847 -1.459045 -0.531600
C 2.631626 -0.660107 -0.034135
C -5.554128 -1.228993 -0.484011
C -4.130913 1.200698 0.080968
C 3.859572 -0.811277 -0.973675
C -6.114328 0.031013 -0.800333
C -5.415043 1.232261 -0.521845
C 5.060596 -0.008512 -0.495561
C 5.270953 1.321845 -0.942254
C 5.976166 -0.556577 0.440369
C -3.922256 3.634340 0.111078
C 6.361533 2.085261 -0.467318
C 7.068643 0.201519 0.918513
C 7.265245 1.527274 0.466432
H -1.736871 -2.004214 2.007458
H -3.286763 -3.199620 -0.185904
H -3.900472 -2.933502 1.468348
H -0.729593 -3.113345 -0.019189
H -1.319314 -1.763463 -1.042118
H 0.041263 -0.303021 0.551317
H 1.670591 -2.537508 -0.572151
H 1.176747 -1.150802 -1.584305
H 2.366136 0.414076 0.045136
H 2.892206 -0.996802 0.986817
H -6.101102 -2.152964 -0.698786
H 3.569868 -0.488263 -1.993263
H 4.123215 -1.885675 -1.039950
H -7.103143 0.087589 -1.267884
H -5.876003 2.190598 -0.780075
H 4.576792 1.759807 -1.670946
H 5.832471 -1.586018 0.792800
H -3.164965 4.356572 0.449462
H -4.106926 3.766788 -0.973286
H -4.865989 3.792903 0.669076
H 6.508790 3.110310 -0.826768
H 7.766946 -0.240623 1.638630
H 8.113247 2.115991 0.834252


