%chk=000077669.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000077669

0 1
 O  -0.7427000      0.2913000       1.733800    
 O   0.7428000      0.2923000      -1.733700    
 O   -5.000800     -6.5000001E-03  -1.479100    
 O    5.000800     -7.3000002E-03   1.479000    
 N   -3.918400      -1.849500      -2.976400    
 N    3.918400      -1.851300       2.975300    
 C  -0.6025000      -1.566200     -0.4057000    
 C   0.6025000      -1.566400      0.4048000    
 C   -1.713600     -0.7483000     -0.1670000    
 C    1.713600     -0.7484000      0.1666000    
 C   -2.827100     -0.8239000      -1.006300    
 C    2.827100     -0.8245000       1.005900    
 C   -1.697200      0.1904000      0.9734000    
 C    1.697200      0.1910000     -0.9733000    
 C   -2.876300       1.047200       1.213900    
 C    2.876300       1.047900      -1.213300    
 C  -0.6090000      -2.454600      -1.481400    
 C   0.6090000      -2.455600       1.479900    
 C   -3.989900      0.9714000      0.3748000    
 C    3.989900      0.9716000     -0.3741000    
 C   -2.829500      -1.716900      -2.084500    
 C    2.829500      -1.718200       2.083500    
 C   -4.006000      3.2900002E-02 -0.7660000    
 C    4.006000      3.2499999E-02  0.7660000    
 C   -1.720000      -2.529800      -2.319000    
 C    1.720000      -2.531200       2.317500    
 C   -2.873700       1.940700       2.291700    
 C    2.873700       1.942100      -2.290600    
 C   -5.100900       1.789300      0.6133000    
 C    5.100900       1.789700     -0.6122000    
 C   -3.982800       2.754100       2.525700    
 C    3.982900       2.755700      -2.524100    
 C   -5.093900       2.678800       1.688100    
 C    5.094000       2.679800      -1.686600    
 H   0.2435000      -3.098800      -1.686900    
 H  -0.2435000      -3.099800       1.685100    
 H   -1.705800      -3.228200      -3.152300    
 H    1.705700      -3.230100       3.150400    
 H   -2.021200       2.020900       2.960800    
 H    2.021200       2.022600      -2.959700    
 H   -5.980700       1.751300     -2.3499999E-02
 H    5.980600       1.751400      2.4499999E-02
 H   -3.866500      -2.510800      -3.740300    
 H   -4.751600      -1.290100      -2.863000    
 H    4.752200      -1.293000       2.861300    
 H    3.867000      -2.514000       3.738100    
 H   -3.980100       3.447300       3.361900    
 H    3.980100       3.449300      -3.359900    
 H   -5.956000       3.313300       1.872500    
 H    5.956100       3.314300      -1.870700    


%chk=000077669-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000077669

0 1
O -0.837313 0.486190 1.760774
O 0.837146 0.487513 -1.760200
O -5.284515 -0.209256 -1.441234
O 5.284810 -0.210758 1.440576
N -3.990864 -1.863539 -2.962005
N 3.991008 -1.865470 2.960759
C -0.605031 -1.318212 -0.444202
C 0.605055 -1.318521 0.443473
C -1.812933 -0.634291 -0.152984
C 1.812795 -0.634034 0.152922
C -2.976424 -0.795763 -0.993862
C 2.976353 -0.796124 0.993591
C -1.853431 0.302068 1.009709
C 1.853042 0.303546 -1.008796
C -3.122806 1.039881 1.278760
C 3.122600 1.041063 -1.277798
C -0.571207 -2.181661 -1.583236
C 0.571460 -2.183156 1.581614
C -4.265505 0.853278 0.453232
C 4.265394 0.853784 -0.452550
C -2.908520 -1.674575 -2.137819
C 2.908656 -1.676071 2.136688
C -4.222839 -0.073545 -0.711213
C 4.222652 -0.073472 0.711548
C -1.678286 -2.359520 -2.405845
C 1.678590 -2.361587 2.404030
C -3.185230 1.936357 2.375177
C 3.185105 1.937942 -2.373881
C -5.459743 1.563279 0.734735
C 5.459812 1.563495 -0.734019
C -4.373810 2.639927 2.648749
C 4.373855 2.641245 -2.647401
C -5.515106 2.451457 1.826095
C 5.515250 2.452084 -1.825041
H 0.360716 -2.711242 -1.808231
H -0.360340 -2.713174 1.806092
H -1.619694 -3.027485 -3.273419
H 1.620154 -3.030405 3.270958
H -2.288966 2.061235 2.990552
H 2.288761 2.063346 -2.989033
H -6.321704 1.399461 0.081094
H 6.321843 1.399153 -0.080602
H -3.918813 -2.470134 -3.776107
H -4.851294 -1.341023 -2.721556
H 4.851133 -1.342074 2.721116
H 3.919096 -2.472839 3.774295
H -4.418570 3.333294 3.495469
H 4.418676 3.334924 -3.493862
H -6.439293 2.999350 2.039845
H 6.439574 2.999760 -2.038757


