%chk=000066248.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000066248

1 1
 O   0.6750000     -4.7300000E-02  -1.244600    
 O  -3.4600001E-02   1.850200     -0.1563000    
 O   -1.827200      9.2000000E-02  -2.164800    
 N    4.033400      0.3555000      0.1180000    
 C    2.510900      0.5859000      0.2082000    
 C    4.301000     -0.1250000      -1.321900    
 C    2.004300      0.4359000      -1.215600    
 C    2.947800     -0.5823000      -1.820500    
 C    4.791300       1.643700      0.3947000    
 C    4.465700     -0.7054000       1.120200    
 C    6.275700       1.389600      0.2488000    
 C    4.217900     -0.1960000       2.523100    
 C  -0.2738000      0.7651000     -0.6726000    
 C   -1.656000      0.1099000     -0.7329000    
 C   -1.654000      -1.323500     -0.1971000    
 C   -2.765500      0.9361000     -7.7500001E-02
 C   -2.416100      -2.269200     -0.8435000    
 C   -2.747900       1.095000       1.288900    
 C  -0.8904000      -1.611700      0.9105000    
 C   -3.737400       1.487600     -0.8798000    
 C   -2.414300      -3.575800     -0.3551000    
 C   -3.759000       1.847700       1.886400    
 C  -0.8887000      -2.918300       1.398800    
 C   -4.748400       2.240300     -0.2823000    
 C   -1.650600      -3.900400      0.7660000    
 C   -4.759200       2.420400       1.100900    
 H    2.069500     -0.1769000      0.8589000    
 H    2.325900       1.576100      0.6357000    
 H    5.055300     -0.9176000      -1.321000    
 H    4.646400      0.7282000      -1.916800    
 H    2.073100       1.383600      -1.765500    
 H    2.714500      -1.594200      -1.466600    
 H    2.889400     -0.6032000      -2.913100    
 H    4.458900       2.375500     -0.3518000    
 H    4.522000       2.039000       1.378400    
 H    3.858600      -1.597600      0.9241000    
 H    5.511800     -0.9775000      0.9519000    
 H    6.799300       2.352800      0.2747000    
 H    6.688000      0.8068000       1.077100    
 H    6.559700      0.9093000     -0.6909000    
 H    4.304900      -1.036300       3.222000    
 H    4.971800      0.5303000       2.841300    
 H    3.228100      0.2399000       2.680600    
 H   -1.240100     -0.5867000      -2.541000    
 H   -3.029100      -2.035200      -1.708000    
 H   -1.971400      0.6833000       1.922300    
 H  -0.2902000     -0.8667000       1.421900    
 H   -3.763200       1.368200      -1.957400    
 H   -3.010400      -4.339900     -0.8456000    
 H   -3.764400       1.992800       2.962800    
 H  -0.2942000      -3.171000       2.272000    
 H   -5.527500       2.686400     -0.8935000    
 H   -1.650000      -4.917500       1.146700    
 H   -5.545600       3.007600       1.566000    


%chk=000066248-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000066248

1 1
O 0.842388 0.729170 -1.170190
O -0.277163 2.072403 0.367910
O -1.361213 -0.560596 -1.886212
N 3.892777 0.507863 -0.068068
C 2.761412 1.509320 0.237337
C 4.293126 0.885760 -1.513313
C 1.985493 1.678090 -1.083934
C 2.979104 1.303127 -2.214854
C 5.061634 0.708748 0.920011
C 3.361689 -0.955807 -0.045536
C 6.263398 -0.209407 0.674353
C 2.976967 -1.481766 1.339965
C -0.293821 1.074521 -0.373444
C -1.398388 -0.006334 -0.523198
C -1.048928 -1.078053 0.543725
C -2.796933 0.602667 -0.356519
C -0.935126 -2.437131 0.168130
C -3.777838 -0.003391 0.461267
C -0.881664 -0.712608 1.905675
C -3.135865 1.754685 -1.109749
C -0.645436 -3.422247 1.142019
C -5.079397 0.542359 0.533624
C -0.595692 -1.698500 2.875780
C -4.432861 2.300609 -1.036353
C -0.471692 -3.057039 2.496791
C -5.409830 1.695904 -0.210499
H 2.142674 1.152605 1.071506
H 3.237531 2.461035 0.528974
H 4.800495 0.033601 -1.988226
H 5.001168 1.728095 -1.437791
H 1.583609 2.701192 -1.158966
H 2.551735 0.485479 -2.816297
H 3.157518 2.151392 -2.893882
H 5.354509 1.769717 0.825999
H 4.645701 0.560527 1.930205
H 2.487960 -0.967943 -0.717046
H 4.160826 -1.569001 -0.494240
H 7.052325 0.059149 1.398316
H 6.028612 -1.274837 0.833913
H 6.694028 -0.084807 -0.333842
H 2.540760 -2.487223 1.205411
H 3.839873 -1.585470 2.018672
H 2.194841 -0.879780 1.832196
H -0.414811 -0.727522 -2.140245
H -1.119299 -2.719905 -0.873159
H -3.538098 -0.902394 1.037413
H -1.011146 0.332273 2.212468
H -2.392564 2.217728 -1.769442
H -0.583564 -4.475140 0.845586
H -5.833905 0.063792 1.166797
H -0.494626 -1.411512 3.928251
H -4.685039 3.190972 -1.621970
H -0.267666 -3.823348 3.252389
H -6.418588 2.118480 -0.152510


