%chk=000097887.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000097887

0 1
 O   -4.729000       1.388200     -0.2754000    
 O    4.714600       1.388700      0.2618000    
 N   -4.789200     -0.9417000     -0.1949000    
 N    4.787800     -0.9414000      0.2026000    
 N   -3.351100      0.2096000       1.176000    
 N    3.344700      0.1893000      -1.180200    
 C   -6.184000      -1.228700     -0.3593000    
 C    6.184000      -1.219200      0.3709000    
 C   -5.269600      -1.209000      -1.518800    
 C    5.268200      -1.194000       1.529300    
 C   -6.694800      -2.505600      0.1706000    
 C    6.702500      -2.498000     -0.1467000    
 C   -4.329100      0.3212000      0.1894000    
 C    4.321100      0.3154000     -0.1936000    
 C  -0.7361000       1.295600      8.8299997E-02
 C   0.7837000       1.337100     -8.8600002E-02
 C   -1.180400       1.330000       1.555300    
 C    1.168800       1.293200      -1.571300    
 C   -2.691300       1.349400       1.768500    
 C    2.679300       1.320000      -1.783700    
 H   -6.855300     -0.3958000     -0.1994000    
 H    6.850800     -0.3840000      0.2041000    
 H   -5.287600     -0.3610000      -2.188700    
 H   -4.892900      -2.136000      -1.926800    
 H    5.280900     -0.3398000       2.191400    
 H    4.896300      -2.119200       1.945300    
 H   -6.915000      -2.413300       1.239000    
 H   -7.622500      -2.782600     -0.3403000    
 H   -5.983400      -3.329200      4.4399999E-02
 H    5.995600      -3.324400     -1.4000000E-02
 H    6.923400      -2.414100      -1.215700    
 H    7.631100      -2.765100      0.3676000    
 H   -1.184300       2.147100     -0.4387000    
 H   -1.124300      0.3875000     -0.3889000    
 H    1.225700      0.4870000      0.4440000    
 H    1.183400       2.250100      0.3686000    
 H  -0.7490000       2.212900       2.042500    
 H  -0.7610000      0.4535000       2.065800    
 H   0.7556000      0.3835000      -2.024800    
 H   0.7203000       2.146100      -2.094200    
 H   -3.123000     -0.7172000       1.522900    
 H    3.122100     -0.7420000      -1.518600    
 H   -2.910800       1.321100       2.841000    
 H   -3.113000       2.277400       1.368300    
 H    3.098700       2.255300      -1.398300    
 H    2.897100       1.277200      -2.856200    


%chk=000097887-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000097887

0 1
O -4.331001 1.251990 -1.010092
O 4.338690 1.270727 0.988089
N -4.554458 -1.094937 -0.526601
N 4.560501 -1.084065 0.541798
N -3.462399 0.325989 0.964204
N 3.461294 0.312207 -0.966691
C -5.980101 -1.515822 -0.170525
C 5.986423 -1.507661 0.189294
C -5.568962 -1.277377 -1.615048
C 5.577754 -1.248250 1.630834
C -6.166252 -2.901150 0.413774
C 6.173730 -2.901337 -0.374360
C -4.135850 0.264454 -0.239940
C 4.140165 0.270662 0.235175
C -0.773044 1.568963 0.006581
C 0.770884 1.570122 -0.026731
C -1.338169 1.598522 1.443352
C 1.335468 1.574922 -1.463992
C -2.884895 1.568094 1.499820
C 2.882136 1.545234 -1.521057
H -6.597584 -0.722008 0.274705
H 6.601435 -0.719520 -0.269218
H -5.917744 -0.363666 -2.110533
H -5.385075 -2.136098 -2.269049
H 5.925801 -0.326529 2.111776
H 5.396698 -2.097432 2.297933
H -5.957927 -2.907735 1.499551
H -7.205587 -3.248011 0.262750
H -5.483791 -3.620228 -0.071071
H 5.493655 -3.614071 0.123031
H 5.962837 -2.924816 -1.459403
H 7.214022 -3.244067 -0.220504
H -1.162631 2.442430 -0.555011
H -1.154996 0.671323 -0.520090
H 1.154628 0.682809 0.515925
H 1.158749 2.454341 0.519003
H -0.995986 2.518629 1.959897
H -0.927126 0.746286 2.024598
H 0.925062 0.712108 -2.029897
H 0.991919 2.485318 -1.996601
H -3.261370 -0.562720 1.426395
H 3.258946 -0.584076 -1.413437
H -3.225932 1.704436 2.545219
H -3.301938 2.392258 0.894554
H 3.298903 2.379174 -0.929130
H 3.222122 1.665677 -2.568772


