%chk=000027708.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000027708

0 1
 O   0.9683000     -0.9967000     -8.3899997E-02
 O  -0.7516000       2.685300     -0.3159000    
 N   -5.247800      0.2904000      0.3351000    
 C   -1.033600      0.3528000     -0.2806000    
 C   -3.167100     -0.7673000     -0.4284000    
 C  -0.3907000     -0.8780000     -0.1975000    
 C   -4.652500     -0.7105000     -0.5518000    
 C   -2.425000      0.4141000     -0.3965000    
 C    1.250500       1.413600     -0.1152000    
 C    1.733200      0.1563000     -5.1300000E-02
 C  -0.2260000       1.581600     -0.2435000    
 C   -2.522800      -2.001900     -0.3449000    
 C   -1.133800      -2.058700     -0.2296000    
 C    3.167700     -0.1379000      6.8599999E-02
 C    2.048400       2.684400     -5.9700001E-02
 C   -4.934100     -1.4000000E-02   1.730200    
 C   -6.694900      0.3511000      0.1369000    
 C    3.753400     -0.2530000       1.329700    
 C    3.944800     -0.3021000      -1.078200    
 C    5.115200     -0.5320000       1.443700    
 C    5.306700     -0.5812000     -0.9642000    
 C    5.891800     -0.6962000      0.2969000    
 H   -4.883400     -0.4644000      -1.596800    
 H   -5.091600      -1.698800     -0.3578000    
 H   -2.922700       1.377200     -0.4758000    
 H   -3.089600      -2.928800     -0.3697000    
 H  -0.6390000      -3.024000     -0.1656000    
 H    1.731600       3.293200      0.7938000    
 H    1.896600       3.266300     -0.9751000    
 H    3.123700       2.515600      4.3299999E-02
 H   -5.427000      0.7079000       2.392600    
 H   -3.866700      7.0200004E-02   1.955900    
 H   -5.272200      -1.015700       2.021200    
 H   -6.931100      0.6122000     -0.9007000    
 H   -7.136800       1.133700      0.7637000    
 H   -7.187200     -0.5991000      0.3742000    
 H    3.160900     -0.1280000       2.232800    
 H    3.502900     -0.2158000      -2.068000    
 H    5.571000     -0.6215000       2.425500    
 H    5.911700     -0.7091000      -1.857100    
 H    6.952200     -0.9134000      0.3856000    


%chk=000027708-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000027708

0 1
O 1.064901 -0.918373 -0.238967
O -0.831463 2.739019 0.379143
N -5.331223 0.202884 0.303820
C -1.023316 0.373380 -0.081809
C -3.153166 -0.810712 -0.422967
C -0.335411 -0.845707 -0.299679
C -4.674721 -0.803939 -0.553677
C -2.440428 0.371985 -0.151836
C 1.221665 1.479426 0.223954
C 1.821220 0.242481 0.036677
C -0.255908 1.613100 0.193286
C -2.426938 -2.020746 -0.624492
C -1.022650 -2.048370 -0.569487
C 3.265267 -0.094647 0.054830
C 1.993096 2.765887 0.423788
C -5.255144 -0.123497 1.741550
C -6.704065 0.520053 -0.131438
C 4.168329 0.536024 0.953771
C 3.762751 -1.099694 -0.821722
C 5.534986 0.185496 0.959553
C 5.129723 -1.443286 -0.817085
C 6.023570 -0.799684 0.070910
H -4.938126 -0.563137 -1.603782
H -5.059937 -1.841166 -0.365314
H -2.977718 1.310798 0.016587
H -2.974959 -2.949934 -0.823396
H -0.455476 -2.971666 -0.718521
H 2.128414 2.998562 1.497514
H 1.397672 3.594915 0.005360
H 2.985558 2.740224 -0.054549
H -5.668708 0.712349 2.332861
H -4.202210 -0.262596 2.040246
H -5.818582 -1.053792 2.009373
H -6.695307 0.856295 -1.183808
H -7.104070 1.343967 0.485998
H -7.412026 -0.343905 -0.048044
H 3.798263 1.274660 1.669944
H 3.069743 -1.603205 -1.502234
H 6.215607 0.675058 1.664565
H 5.498493 -2.212404 -1.504522
H 7.085693 -1.068301 0.075498


