%chk=000041835.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000041835

0 1
 O   -2.960800      -2.626500       1.900900    
 O    1.191300       2.381400      0.9430000    
 O    3.438400       3.251500      0.9068000    
 O   -2.989700       2.020800      -2.266600    
 O   -4.422600       2.457500      0.8031000    
 N   0.2635000      -2.791900      7.5300001E-02
 N   -2.200500       3.001900      0.9602000    
 C    1.656700      -2.892600      0.5103000    
 C    2.613100      -2.863500     -0.6965000    
 C    2.456000      -1.645200      -1.619000    
 C  -0.6319000      -2.759000       1.220900    
 C   -2.093300      -2.652500      0.7682000    
 C    1.850100      -4.179300       1.313300    
 C    2.756700     -0.3286000     -0.9481000    
 C   -2.332900      -1.396000     -3.9900001E-02
 C    1.728700      0.3617000     -0.3183000    
 C    4.064600      0.1654000     -0.9762000    
 C    2.052500       1.561300      0.2813000    
 C    3.335600       2.058300      0.2606000    
 C   -2.665700     -0.2232000      0.6155000    
 C    4.365700       1.382900     -0.3611000    
 C   -2.215200      -1.447300      -1.418000    
 C   -2.887700      0.9344000     -0.1303000    
 C   -2.437000     -0.2896000      -2.163900    
 C    2.076300       3.449900       1.337100    
 C   -2.773200      0.9013000      -1.520100    
 C   -3.238800       2.166900      0.5612000    
 H    1.905600      -2.048300       1.164400    
 H    3.647900      -2.906000     -0.3321000    
 H    2.461300      -3.767500      -1.301500    
 H    3.128600      -1.768600      -2.478200    
 H    1.448500      -1.616800      -2.053400    
 H   2.8200001E-02  -3.581000     -0.5261000    
 H  -0.5667000      -3.665300       1.831900    
 H  -0.3885000      -1.915400       1.880300    
 H   -2.378800      -3.531500      0.1765000    
 H    1.411900      -4.119900       2.314400    
 H    2.918500      -4.373900       1.464800    
 H    1.434000      -5.052000      0.7970000    
 H   0.7099000     -5.2000000E-03 -0.3020000    
 H    4.857400     -0.3892000      -1.471500    
 H   -2.743500     -0.1816000       1.698800    
 H    5.375300       1.777600     -0.3748000    
 H   -1.958200      -2.369700      -1.930700    
 H   -2.806800      -3.442600       2.406500    
 H   -2.347300     -0.3228000      -3.246300    
 H    2.061700       3.532400       2.430000    
 H    1.705700       4.388100      0.9084000    
 H   -3.210300       2.772900      -1.693500    
 H   -2.387600       3.869700       1.451200    
 H   -1.227400       2.776900      0.7781000    


%chk=000041835-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000041835

0 1
O -2.492759 -1.882475 2.397405
O 0.925850 2.159131 1.587776
O 3.159696 2.964771 1.874543
O -3.862504 1.340439 -2.849446
O -3.098445 3.268082 -1.431542
N 0.381291 -2.766817 0.096801
N -1.638809 3.007654 0.329122
C 1.850054 -2.962012 0.246179
C 2.574198 -2.750939 -1.106752
C 2.293293 -1.374913 -1.778554
C -0.337334 -2.396039 1.327347
C -1.871651 -2.303876 1.118832
C 2.228387 -4.336127 0.862065
C 2.588076 -0.194272 -0.864172
C -2.329532 -1.316592 0.061895
C 1.512880 0.393914 -0.132602
C 3.908501 0.293639 -0.683447
C 1.828205 1.412342 0.763718
C 3.142170 1.885996 0.943079
C -2.166381 0.072467 0.232838
C 4.211235 1.350370 0.220974
C -2.973220 -1.784720 -1.115651
C -2.633225 0.998318 -0.738570
C -3.461276 -0.898013 -2.086617
C 1.815372 2.949154 2.490000
C -3.321939 0.501568 -1.903976
C -2.468944 2.471329 -0.620126
H 2.192216 -2.166210 0.936938
H 3.663177 -2.866796 -0.933891
H 2.277672 -3.554823 -1.812754
H 2.901599 -1.307734 -2.701250
H 1.230039 -1.349282 -2.073989
H -0.060190 -3.555410 -0.398272
H -0.167222 -3.112540 2.176443
H 0.030521 -1.409134 1.669809
H -2.244559 -3.315707 0.838294
H 1.704191 -4.505257 1.821074
H 3.315083 -4.402580 1.057347
H 1.959330 -5.160513 0.173022
H 0.492052 0.029572 -0.274548
H 4.725803 -0.156965 -1.258253
H -1.718185 0.435429 1.165570
H 5.228992 1.729074 0.345056
H -3.117450 -2.863436 -1.256827
H -2.178476 -2.489491 3.117782
H -3.979238 -1.251088 -2.982676
H 1.863244 2.438000 3.471112
H 1.437323 3.979974 2.557201
H -3.718272 2.309921 -2.496903
H -1.569996 4.025777 0.338217
H -0.951543 2.477141 0.872276


