%chk=000099515.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000099515

0 1
 O   0.5825000     -0.2026000       1.054400    
 O  -0.4408000      0.2009000      -2.374800    
 O   -1.229500      -2.358900      5.6100000E-02
 O  -0.1994000       1.952400       1.554800    
 O    3.166900     -0.4966000      0.1262000    
 O   -4.170800       1.217000     -0.3214000    
 O   -2.244600       1.498800      -3.006200    
 O   0.1797000      -4.189400      6.5899998E-02
 O    2.047800       1.908400       2.089100    
 O    4.548700     -5.0999999E-02  -1.671000    
 N   -2.330300      0.3044000      0.7737000    
 C   -1.134100     -0.3658000      -1.264800    
 C   -1.314500      0.7030000     -0.1784000    
 C  -0.3473000      -1.579900     -0.7578000    
 C   0.8867000      -1.211100      8.3200000E-02
 C   1.9099999E-02  0.9937000      0.5209000    
 C    2.105600     -0.8233000     -0.7519000    
 C   -3.674600      0.5983000      0.6164000    
 C   -1.041900       1.279600      -2.955300    
 C  -0.6979000      -3.505200      0.5745000    
 C   0.9089000       2.320900       2.262300    
 C   -4.514800      4.5699999E-02   1.736300    
 C   1.5000000E-03   2.184400      -3.537500    
 C   -1.352500      -3.818700       1.885700    
 C    4.344400     -0.1234000     -0.4667000    
 C   0.5304000       3.326600       3.307100    
 C    5.370700      0.1918000      0.5790000    
 H   -2.114900     -0.7126000      -1.618500    
 H   -1.664800       1.654000     -0.5929000    
 H  -4.5200001E-02  -2.195800      -1.615200    
 H    1.218400      -2.051600      0.6993000    
 H   0.7150000       1.445700     -0.1958000    
 H    2.399900      -1.665400      -1.389500    
 H    1.901700      4.1700002E-02  -1.389300    
 H   -2.041600     -0.2710000       1.560100    
 H   -4.073000      0.3017000       2.703600    
 H   -4.578200      -1.041900       1.641100    
 H   -5.520700      0.4714000       1.687200    
 H  -0.4847000       3.046300      -4.003100    
 H   0.6634000       2.543700      -2.745400    
 H   0.5707000       1.650000      -4.302100    
 H   -2.423500      -3.976800       1.736500    
 H   -1.178500      -3.001200       2.590100    
 H  -0.9182000      -4.733400       2.298900    
 H    1.421100       3.614600       3.872900    
 H   0.1171000       4.218700       2.830000    
 H  -0.1941000       2.888100       3.997900    
 H    6.305800      0.4852000      9.3400002E-02
 H    5.024000       1.022400       1.198800    
 H    5.558900     -0.6935000       1.191500    


%chk=000099515-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000099515

0 1
O 0.700613 -0.252047 1.202170
O -0.319561 0.552858 -2.144166
O -1.275364 -2.273039 0.079202
O 0.005139 1.856360 1.914404
O 3.331927 -0.512078 0.011654
O -3.580785 2.227879 0.794109
O -1.386623 -0.726922 -3.778896
O -0.133673 -4.193617 -0.590564
O 2.294448 2.353306 1.964963
O 3.507459 1.554945 -1.068232
N -2.200651 0.372310 1.056738
C -1.081740 -0.167344 -1.085146
C -1.212700 0.838821 0.086992
C -0.309922 -1.462014 -0.723540
C 0.970510 -1.212975 0.114047
C 0.176480 1.037646 0.726216
C 2.144947 -0.820656 -0.809308
C -3.321072 1.128822 1.371780
C -0.593928 0.190865 -3.484527
C -1.065362 -3.669074 0.054340
C 1.160064 2.459779 2.466715
C -4.217793 0.544130 2.457272
C 0.180125 1.078407 -4.427680
C -2.090248 -4.374010 0.909912
C 3.908249 0.762956 -0.186776
C 0.782779 3.213774 3.719152
C 5.015586 1.004869 0.804064
H -2.077221 -0.442922 -1.474157
H -1.585385 1.802505 -0.304969
H -0.067337 -2.028924 -1.640852
H 1.238049 -2.134990 0.655674
H 0.893191 1.512994 0.028779
H 2.402661 -1.693939 -1.435561
H 1.918306 0.042992 -1.455910
H -2.007578 -0.506268 1.540741
H -3.908291 -0.462093 2.788606
H -5.254547 0.499314 2.083314
H -4.213681 1.221724 3.329005
H 0.244494 0.604533 -5.418070
H -0.345304 2.045282 -4.532844
H 1.186060 1.292287 -4.031543
H -3.081872 -3.906904 0.800472
H -1.796770 -4.303235 1.973431
H -2.135353 -5.436684 0.630285
H 1.624024 3.842538 4.044078
H -0.112821 3.831147 3.540414
H 0.533445 2.495100 4.520297
H 5.811289 1.607218 0.338483
H 4.585071 1.585401 1.639722
H 5.419168 0.059272 1.195011


