%chk=000091746.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000091746

0 1
 O   -1.718500      -1.944600     -0.7684000    
 O   -1.308400       2.593700      0.6143000    
 O   -5.159000     -0.4977000      0.1449000    
 N   -3.799800     -0.6886000     -1.3300000E-02
 C    1.182700     -2.7000001E-02  0.2771000    
 C   0.4701000     -0.9926000     -0.6767000    
 C   0.6868000       1.406400      5.4299999E-02
 C    2.691600     -0.1238000      0.1451000    
 C   -1.030700     -0.9661000     -0.4821000    
 C  -0.8058000       1.523400      0.2765000    
 C   -1.633200      0.3087000      1.0700000E-02
 C    3.463600     -0.5262000       1.235500    
 C    3.308100      0.1897000      -1.066800    
 C   -2.955000      0.3633000      0.2234000    
 C    4.850400     -0.6150000       1.114200    
 C    4.695000      0.1010000      -1.187800    
 C    5.466000     -0.3015000     -9.7300000E-02
 C    2.828800     -0.8675000       2.543700    
 C    2.504700      0.6225000      -2.249500    
 C   -3.598900       1.639000      0.7221000    
 C    6.948800     -0.3963000     -0.2272000    
 C   -4.042000       2.548000     -0.4169000    
 C   -5.772800      -1.743300     -0.1648000    
 C   -7.272500      -1.605600     -1.1000000E-02
 H   0.8585000     -0.3049000       1.285400    
 H   0.8130000      -2.015600     -0.4767000    
 H   0.5737000     -0.8098000      -1.736200    
 H   0.8119000       1.827200     -0.9325000    
 H    1.182500       2.074500      0.7699000    
 H    5.455800     -0.9301000       1.960800    
 H    5.183900      0.3415000      -2.129000    
 H    2.299400     -3.3000000E-03   2.958600    
 H    2.144200      -1.715400       2.436600    
 H    3.578200      -1.162100       3.287500    
 H    3.223100      0.8080000      -3.065800    
 H    1.894500     -0.1427000      -2.714500    
 H    2.049200       1.603200      -2.182000    
 H   -4.513700       1.377500       1.274600    
 H   -3.071300       2.154400       1.527800    
 H    7.331300      0.3455000     -0.9366000    
 H    7.443400     -0.2063000      0.7315000    
 H    7.232200      -1.394300     -0.5758000    
 H   -3.464300      -1.564000     -0.3939000    
 H   -4.765700       2.045300      -1.067700    
 H   -4.527700       3.442600     -1.3200000E-02
 H   -3.203900       2.874000      -1.040000    
 H   -5.540600      -2.030200      -1.197800    
 H   -5.407400      -2.521400      0.5165000    
 H   -7.777800      -2.547400     -0.2425000    
 H   -7.529600      -1.308600       1.011200    
 H   -7.658100     -0.8251000     -0.6754000    


%chk=000091746-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000091746

0 1
O -1.893154 -1.722614 -0.942056
O -1.223849 2.758898 0.753460
O -5.248440 -0.547954 0.077940
N -3.818751 -0.541936 -0.116775
C 1.190971 -0.004407 0.126180
C 0.350624 -0.829232 -0.879002
C 0.706400 1.467645 0.087960
C 2.715327 -0.151109 0.011990
C -1.133786 -0.696278 -0.595341
C -0.804947 1.632227 0.320589
C -1.687559 0.491153 0.007039
C 3.450490 -0.485610 1.198576
C 3.445524 0.067892 -1.200592
C -3.128878 0.542137 0.270265
C 4.859400 -0.608280 1.151619
C 4.858248 -0.062204 -1.199310
C 5.589347 -0.407837 -0.042274
C 2.766519 -0.709278 2.543252
C 2.802697 0.429077 -2.536433
C -3.865963 1.696913 0.911626
C 7.099187 -0.568229 -0.078313
C -4.336815 2.732861 -0.148183
C -5.767035 -1.922446 -0.175031
C -7.278469 -1.841634 0.021713
H 0.904828 -0.387825 1.122360
H 0.607351 -1.902648 -0.842204
H 0.524960 -0.495562 -1.918108
H 0.942749 1.934738 -0.888738
H 1.217988 2.081319 0.850572
H 5.399302 -0.862659 2.072879
H 5.400938 0.115416 -2.137066
H 2.183270 0.172311 2.869718
H 2.071920 -1.570885 2.522487
H 3.517960 -0.913940 3.324821
H 3.563731 0.836108 -3.224711
H 2.364705 -0.459141 -3.031035
H 2.004201 1.184403 -2.447268
H -4.743974 1.295513 1.447066
H -3.190714 2.205553 1.614472
H 7.538828 -0.062227 -0.955515
H 7.572490 -0.151339 0.829071
H 7.386119 -1.636505 -0.134094
H -3.158813 -1.352450 -0.601291
H -4.991171 2.265122 -0.904913
H -4.904388 3.538714 0.349899
H -3.465486 3.188336 -0.646922
H -5.502639 -2.221277 -1.208491
H -5.292776 -2.622665 0.539768
H -7.727757 -2.835490 -0.153679
H -7.526122 -1.524391 1.048863
H -7.729889 -1.125885 -0.686041


