%chk=000085943.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000085943

0 1
 O   -1.945100      0.4026000     -0.1914000    
 O    1.943000     -0.4247000       1.563300    
 O    5.979800      0.7811000     -0.5654000    
 O    6.842900      -1.162200      0.2047000    
 O  -0.2619000      0.1430000      -1.732500    
 N    3.485000      0.1286000     -8.0200002E-02
 N   0.1036000       1.187400      0.3076000    
 C    1.501200       1.488900      0.1431000    
 C    4.438400     -0.9143000      0.2185000    
 C    2.301700      0.2871000      0.6275000    
 C    1.890100       2.744800      0.9073000    
 C    4.124600      -2.170700     -0.5797000    
 C    5.865800     -0.4637000     -4.3699998E-02
 C  -0.6626000      0.5398000     -0.6431000    
 C   -2.853400     -0.2555000      -1.081500    
 C   -4.207200     -0.3230000     -0.4379000    
 C   -4.540500      -1.418200      0.3513000    
 C   -5.116200      0.7105000     -0.6361000    
 C   -5.798800      -1.481000      0.9499000    
 C   -6.374500      0.6476000     -3.7300002E-02
 C   -6.715700     -0.4481000      0.7556000    
 H    1.690100       1.642700     -0.9262000    
 H    4.370700      -1.133400       1.290800    
 H    3.698100      0.7648000     -0.8432000    
 H    1.301300       3.604800      0.5708000    
 H    2.950800       2.977500      0.7652000    
 H    1.719600       2.624500       1.983300    
 H  -0.3408000       1.417900       1.191600    
 H    4.195600      -1.981300      -1.657000    
 H    3.110300      -2.527800     -0.3711000    
 H    4.824900      -2.977400     -0.3386000    
 H   -2.487900      -1.266100      -1.302600    
 H   -2.910400      0.2975000      -2.027500    
 H   -3.833100      -2.227200      0.5112000    
 H   -4.860000       1.569600      -1.249900    
 H   -6.064400      -2.333800       1.567800    
 H   -7.088400       1.452100     -0.1879000    
 H   -7.695500     -0.4968000       1.221900    
 H    6.916300       1.032400     -0.7135000    


%chk=000085943-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000085943

0 1
O -1.488430 0.581837 -0.011976
O 3.428260 0.915036 2.119724
O 3.869709 -0.534070 -2.438726
O 5.462619 -2.001267 -1.599269
O 0.428506 0.806830 -1.372000
N 3.009771 0.267643 -0.079630
N 0.368361 1.596221 0.833984
C 1.730033 2.177051 0.809230
C 3.966394 -0.843870 -0.023627
C 2.803164 1.065864 1.023381
C 1.857757 3.273373 1.874579
C 3.359524 -2.123358 0.621931
C 4.534392 -1.191031 -1.395913
C -0.171706 0.984089 -0.269454
C -2.159215 -0.140696 -1.148561
C -3.573003 -0.442318 -0.719309
C -3.860461 -1.600236 0.046962
C -4.634008 0.427116 -1.076140
C -5.183014 -1.882174 0.453695
C -5.958958 0.147333 -0.673097
C -6.235861 -1.008324 0.093568
H 1.875604 2.600835 -0.202431
H 4.812487 -0.523511 0.614206
H 2.418865 0.393687 -0.915543
H 1.079782 4.043698 1.732016
H 2.848075 3.752304 1.806431
H 1.779394 2.843358 2.888183
H -0.181030 1.634340 1.694050
H 2.490367 -2.479271 0.041402
H 3.034192 -1.879229 1.646343
H 4.116445 -2.924500 0.665063
H -1.575191 -1.055426 -1.355185
H -2.116463 0.510205 -2.038899
H -3.045359 -2.278329 0.327269
H -4.420838 1.324804 -1.669185
H -5.393852 -2.779863 1.045304
H -6.771583 0.825145 -0.956752
H -7.263136 -1.228027 0.405221
H 4.255803 -0.815270 -3.311747


