%chk=000060008.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000060008

0 1
 O    1.586900     -0.8375000     -0.7037000    
 O  -0.1361000      0.4994000     -1.5200000E-02
 O   -4.745900     -0.1027000      0.8957000    
 N    5.211500       1.307000     -0.2640000    
 N  -0.4351000      -1.780100     -0.4562000    
 C    2.466000      0.2790000     -0.6542000    
 C    3.092300      0.3879000      0.7338000    
 C    3.545100      0.1090000      -1.719400    
 C    4.178900       1.463900      0.7693000    
 C    4.616100       1.194900      -1.602300    
 C    6.123200      0.2035000      2.9300001E-02
 C    7.094700      0.5993000       1.138300    
 C    8.069700     -0.5262000       1.448100    
 C   0.2789000     -0.6020000     -0.3547000    
 C   -1.807600      -1.991600     -0.1925000    
 C   -2.609100     -0.9298000      0.2267000    
 C   -5.646300       2.052200      0.3467000    
 C   -2.360300      -3.262400     -0.3513000    
 C   -4.388100       1.200800      0.4393000    
 C   -3.963400      -1.138700      0.4869000    
 C   -5.338100       3.460800     -0.1527000    
 C   -4.516100      -2.409600      0.3281000    
 C   -3.714600      -3.471400     -9.0999998E-02
 C   -6.602700       4.294300     -0.2847000    
 H    1.927300       1.208200     -0.8851000    
 H    2.315800      0.6280000       1.470400    
 H    3.492600     -0.5851000       1.043700    
 H    3.999700     -0.8865000      -1.635700    
 H    3.087200      0.1401000      -2.715700    
 H    4.606400       1.519800       1.774900    
 H    3.701800       2.441800      0.6179000    
 H    4.165100       2.163000      -1.857300    
 H    5.394600       1.033000      -2.358000    
 H    6.726700     -2.1900000E-02 -0.8600000    
 H    5.597300     -0.7232000      0.2852000    
 H    7.661400       1.490400      0.8413000    
 H    6.570600      0.8454000       2.066900    
 H    7.539700      -1.422700       1.785300    
 H    8.661400     -0.7878000      0.5650000    
 H    8.760700     -0.2220000       2.240700    
 H   8.8299997E-02  -2.598500     -0.7575000    
 H   -6.366100       1.562100     -0.3211000    
 H   -6.131300       2.094700       1.330000    
 H   -2.201600      5.3900000E-02  0.3988000    
 H   -3.684200       1.648600       1.150400    
 H   -3.931600       1.167300     -0.5586000    
 H   -1.746800      -4.098500     -0.6773000    
 H   -4.648200       3.958200      0.5388000    
 H   -4.840100       3.410900      -1.128000    
 H   -5.570500      -2.578200      0.5292000    
 H   -4.145200      -4.460800     -0.2147000    
 H   -6.358600       5.299600     -0.6421000    
 H   -7.111300       4.390700      0.6798000    
 H   -7.299300       3.840500     -0.9969000    


%chk=000060008-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000060008

0 1
O 1.613990 -1.023134 -0.795562
O -0.170598 0.484436 -0.443366
O -5.064884 -0.164591 0.175636
N 5.319455 1.164679 -0.393919
N -0.454319 -1.871748 -0.496380
C 2.576920 0.125888 -0.844905
C 3.064986 0.471430 0.571427
C 3.735252 -0.302841 -1.752086
C 4.187690 1.553624 0.484010
C 4.825748 0.815601 -1.747504
C 6.266467 0.184256 0.195651
C 7.193294 0.811516 1.260622
C 8.217199 -0.207632 1.806125
C 0.265835 -0.690617 -0.560365
C -1.853552 -2.040677 -0.298805
C -2.731294 -0.935607 -0.157060
C -5.832367 2.126478 0.271750
C -2.349975 -3.368548 -0.251098
C -4.598711 1.236056 0.114362
C -4.112135 -1.181976 0.030630
C -5.472184 3.630103 0.229360
C -4.622854 -2.503688 0.081840
C -3.732314 -3.584421 -0.060107
C -6.713282 4.536164 0.375641
H 2.035825 0.991722 -1.274882
H 2.224991 0.848241 1.183174
H 3.455129 -0.445402 1.053577
H 4.163771 -1.252159 -1.377957
H 3.370807 -0.480165 -2.781138
H 4.568919 1.782215 1.493887
H 3.751700 2.491806 0.084913
H 4.399144 1.732965 -2.202998
H 5.682890 0.509216 -2.373539
H 6.896169 -0.201674 -0.630037
H 5.757034 -0.706273 0.643460
H 7.710767 1.675997 0.804153
H 6.590821 1.210450 2.100343
H 7.711581 -1.074210 2.273262
H 8.864699 -0.593850 0.996155
H 8.870943 0.252201 2.569012
H 0.104664 -2.719444 -0.613974
H -6.553086 1.888537 -0.534178
H -6.331011 1.884987 1.230209
H -2.319346 0.073466 -0.195338
H -3.865952 1.419429 0.927587
H -4.095945 1.416516 -0.858585
H -1.666475 -4.218875 -0.360975
H -4.748455 3.860266 1.037657
H -4.957038 3.860461 -0.725504
H -5.695955 -2.653726 0.228780
H -4.116907 -4.609403 -0.022861
H -6.437282 5.605886 0.342168
H -7.229951 4.349460 1.335831
H -7.439117 4.347608 -0.437499


