%chk=000071955.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000071955

0 1
 O   0.1017000       1.458700      0.5551000    
 O    2.495500       2.472500       1.628800    
 N    2.865500     -0.3733000     -0.7102000    
 C    2.468500       1.830600      0.3508000    
 C    2.808400      0.3519000      0.5518000    
 C    3.245800      -1.762900     -0.4958000    
 C    1.095900       2.054300     -0.2800000    
 C   -1.740400     -6.6699997E-02  0.4557000    
 C   -2.904100     -0.5248000     -0.1781000    
 C   -1.026100       1.005400     -4.9300000E-02
 C   -3.464600      -1.686700      0.5813000    
 C   -1.488500     -0.8843000       1.630100    
 C   -2.463300      -1.804100       1.705200    
 C    3.290100      -2.510500      -1.825500    
 C    2.259900      -2.416300      0.4674000    
 C   -3.380100      7.6499999E-02  -1.329100    
 C   -1.498700       1.620000      -1.211900    
 C   -2.665600       1.159600      -1.846200    
 H    3.235600       2.312300     -0.2659000    
 H    2.060600     -5.9400000E-02   1.237700    
 H    3.772100      0.2874000       1.074400    
 H    4.251400      -1.810400     -5.8499999E-02
 H    1.097600       1.629600      -1.291400    
 H   0.8898000       3.129600     -0.3358000    
 H    3.532400      7.5400002E-02  -1.337400    
 H   -4.463100      -1.466300      0.9692000    
 H   -3.475300      -2.594700     -2.8400000E-02
 H  -0.6595000     -0.7601000       2.306500    
 H    3.599000      -3.550700      -1.676300    
 H    2.309000      -2.517300      -2.313900    
 H    4.006900      -2.047400      -2.512800    
 H    2.410100      -2.100200       1.504700    
 H    2.394600      -3.504600      0.4650000    
 H    1.219000      -2.222800      0.1835000    
 H   -2.530700      -2.552300       2.482500    
 H   -4.281000     -0.2769000      -1.818400    
 H   -1.004800       2.484300      -1.647800    
 H   -3.018500       1.657000      -2.745800    
 H    1.784500       2.087200       2.169000    


%chk=000071955-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000071955

0 1
O 0.117113 0.836179 0.403635
O 2.061397 2.324412 1.701648
N 3.570851 -0.290084 -0.572985
C 2.369616 1.648430 0.432743
C 3.027906 0.268801 0.684902
C 3.658608 -1.775424 -0.667040
C 1.113368 1.535380 -0.438856
C -2.085909 -0.061293 0.712737
C -3.405662 -0.336605 0.249843
C -1.161026 0.601627 -0.131522
C -4.163482 -1.045546 1.363762
C -1.948181 -0.566109 2.088020
C -3.133443 -1.136144 2.481532
C 4.631643 -2.141090 -1.806387
C 2.261380 -2.383675 -0.920912
C -3.815230 0.036057 -1.043794
C -1.564851 0.978599 -1.436289
C -2.880662 0.694614 -1.879498
H 3.092915 2.312650 -0.075542
H 2.258698 -0.419578 1.078374
H 3.791891 0.400658 1.483518
H 4.059764 -2.210508 0.282577
H 1.338604 0.941007 -1.344341
H 0.726571 2.537804 -0.706085
H 4.467349 0.149328 -0.822249
H -5.063160 -0.479100 1.679439
H -4.521018 -2.047810 1.051652
H -1.035719 -0.490253 2.682535
H 4.690013 -3.236373 -1.933697
H 4.284411 -1.698017 -2.758301
H 5.653811 -1.768191 -1.600726
H 1.534075 -2.077913 -0.147514
H 2.312300 -3.488413 -0.920154
H 1.875623 -2.045154 -1.899804
H -3.338313 -1.596722 3.451240
H -4.828464 -0.174633 -1.402619
H -0.871527 1.487146 -2.112214
H -3.172676 0.995012 -2.892033
H 1.221016 1.920531 2.044601


