%chk=000051497.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000051497

1 1
 O    1.603400      0.3063000     -0.4739000    
 O    2.760300      0.3215000       1.529700    
 N   -1.864300     -2.4800001E-02 -5.9799999E-02
 N  -0.1425000      -2.703500      0.6378000    
 N    2.645000       2.283200      0.2855000    
 C   -1.226800      0.5509000      -1.316100    
 C   -2.790000       1.012000      0.5603000    
 C  -0.7758000     -0.3941000      0.9377000    
 C   -2.664700      -1.267900     -0.4208000    
 C   -2.322000      0.9471000      -2.293400    
 C   -3.396900      0.4406000       1.831800    
 C   0.1861000      -1.415700      0.4066000    
 C   -1.735000       1.487200      -3.587500    
 C   -4.367700       1.422700       2.467300    
 C    1.320100      -1.005300     -0.2686000    
 C    2.181200      -1.989000     -0.7420000    
 C   0.7183000      -3.631700      0.1629000    
 C    1.881800      -3.329700     -0.5262000    
 C    2.374800      0.9329000      0.5339000    
 C    3.428900       3.059300       1.235700    
 C    2.185800       2.998200     -0.9008000    
 H  -0.6023000     -0.2114000      -1.788100    
 H  -0.6310000       1.422000      -1.025200    
 H   -3.606100       1.237100     -0.1299000    
 H   -2.206300       1.918500      0.7569000    
 H  -0.2807000      0.5286000       1.259900    
 H   -1.237500     -0.8452000       1.820400    
 H   -3.641800     -0.9756000     -0.8171000    
 H   -2.809900      -1.885800      0.4706000    
 H   -2.117600      -1.845500      -1.173000    
 H   -2.952500       1.750700      -1.904800    
 H   -2.970500      0.1073000      -2.558400    
 H   -2.644300      0.2467000       2.599800    
 H   -3.946300     -0.4882000       1.654100    
 H   -1.120400      0.7302000      -4.085200    
 H   -1.110300       2.366300      -3.398600    
 H   -2.534100       1.780400      -4.275900    
 H   -5.198100       1.647400       1.790200    
 H   -3.866700       2.362900       2.719900    
 H   -4.786200       1.003700       3.388000    
 H    3.085500      -1.718300      -1.279600    
 H   0.4391000      -4.662000      0.3570000    
 H    2.538300      -4.113400     -0.8864000    
 H    4.327100       3.428800      0.7325000    
 H    3.726800       2.459400       2.099400    
 H    2.827200       3.905200       1.580400    
 H    3.053700       3.426300      -1.410900    
 H    1.514200       3.801600     -0.5847000    
 H    1.655900       2.346000      -1.597300    


%chk=000051497-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000051497

1 1
O 2.300082 0.730213 -0.152343
O 1.472231 0.414012 2.044682
N -2.057993 -0.101157 -0.339039
N 0.015810 -2.078879 -1.082717
N 2.984655 2.149295 1.547800
C -2.219350 -0.118128 -1.887063
C -2.842799 1.113367 0.231708
C -0.574944 0.087141 0.024079
C -2.594446 -1.396500 0.273828
C -3.661437 -0.168276 -2.419869
C -2.662560 1.399944 1.733421
C 0.433956 -0.878477 -0.585562
C -3.626788 -0.271978 -3.964420
C -3.593694 2.565076 2.147343
C 1.813207 -0.530822 -0.584242
C 2.758220 -1.430434 -1.119281
C 0.931519 -2.949984 -1.594161
C 2.313482 -2.665272 -1.634387
C 2.208993 1.066002 1.258307
C 3.007665 2.650315 2.938871
C 3.863224 2.842026 0.583706
H -1.655386 -1.001930 -2.224256
H -1.705141 0.791354 -2.249647
H -3.905070 0.910471 0.017660
H -2.529604 1.987210 -0.369053
H -0.308567 1.121295 -0.263179
H -0.489514 0.024916 1.121404
H -3.685088 -1.431458 0.138701
H -2.351581 -1.408657 1.346245
H -2.092599 -2.234635 -0.228888
H -4.232814 0.734453 -2.137618
H -4.200221 -1.045359 -2.015908
H -1.618291 1.672660 1.967968
H -2.913920 0.509331 2.338536
H -3.106778 -1.188623 -4.296028
H -3.114317 0.596247 -4.417318
H -4.652311 -0.302276 -4.368972
H -4.657190 2.314511 1.981793
H -3.366945 3.488078 1.582917
H -3.467053 2.790590 3.219398
H 3.816131 -1.152489 -1.122676
H 0.534830 -3.894289 -1.979251
H 3.017408 -3.389487 -2.052979
H 4.032462 2.582814 3.346670
H 2.334238 2.041643 3.559026
H 2.683136 3.706332 2.967723
H 4.914861 2.773311 0.917994
H 3.585186 3.910246 0.524385
H 3.770307 2.390154 -0.411207


