%chk=000094724.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000094724

0 1
 O   -1.289700       1.001600     -0.3916000    
 O   0.3297000      -2.303000       1.180700    
 O   -1.471300       4.420400      0.6363000    
 O   0.2866000       2.972200      0.6184000    
 N   0.7713000     -0.5550000     -0.3208000    
 C   -1.482000      -1.342300      8.2800001E-02
 C   -2.051000     -0.1244000     -0.2902000    
 C  -5.8899999E-02  -1.444400      0.3740000    
 C   -2.278900      -2.482800      0.1823000    
 C    2.181800     -0.4389000     -0.2622000    
 C   -3.416700     -4.7400001E-02 -0.5638000    
 C   -3.644600      -2.405600     -9.1200002E-02
 C   -4.213500      -1.187900     -0.4641000    
 C    2.895800      -1.284000      0.5699000    
 C    2.814700      0.5165000      -1.039000    
 C   -1.907900       2.244400     -0.1285000    
 C    4.284800      -1.170200      0.6274000    
 C    4.203700      0.6302000     -0.9815000    
 C    4.938800     -0.2133000     -0.1483000    
 C  -0.8927000       3.214100      0.4094000    
 H   -1.856600      -3.443600      0.4653000    
 H   0.3323000      8.6300001E-02 -0.9771000    
 H   -3.894700      0.8738000     -0.8834000    
 H   -4.264600      -3.294200     -1.6400000E-02
 H   -5.275700      -1.129900     -0.6833000    
 H    2.465000      -2.048000       1.199500    
 H    2.251400       1.178900      -1.690300    
 H   -2.315500       2.649700      -1.060600    
 H   -2.686300       2.157500      0.6399000    
 H    4.858400      -1.826300       1.275700    
 H    4.713100       1.375600      -1.585200    
 H    6.020300     -0.1246000     -0.1036000    
 H  -0.8295000       5.073600      0.9882000    


%chk=000094724-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000094724

0 1
O -1.370540 1.026654 -0.176813
O 0.422625 -2.823409 0.150155
O -1.437385 4.626675 -0.470090
O 0.345408 3.136730 -0.300523
N 0.813964 -0.515530 -0.011519
C -1.511862 -1.382878 0.004545
C -2.186126 -0.129663 -0.104671
C -0.011445 -1.628604 0.053358
C -2.319513 -2.546861 0.077457
C 2.236932 -0.480817 0.015433
C -3.597518 -0.051439 -0.138284
C -3.726350 -2.486779 0.044839
C -4.366488 -1.233047 -0.063347
C 3.053432 -1.641617 0.111937
C 2.845895 0.804372 -0.060998
C -1.999067 2.327355 -0.292315
C 4.458098 -1.499493 0.130963
C 4.249083 0.924689 -0.040516
C 5.067334 -0.226199 0.055830
C -0.877613 3.355204 -0.349970
H -1.785700 -3.499240 0.161234
H 0.338160 0.395249 -0.088872
H -4.107556 0.912728 -0.221535
H -4.316675 -3.406440 0.103360
H -5.459493 -1.166410 -0.089808
H 2.580207 -2.622708 0.170036
H 2.215802 1.697839 -0.136369
H -2.610919 2.407093 -1.212870
H -2.647104 2.548566 0.579158
H 5.080306 -2.398864 0.205565
H 4.704238 1.919949 -0.100157
H 6.158583 -0.130712 0.071673
H -0.721114 5.316605 -0.508188


