%chk=000048409.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000048409

0 1
 O   0.5511000     -0.1740000      -2.213800    
 O  -0.2847000      -1.058100       2.254700    
 O    3.390300       1.414500       1.103000    
 N    1.917600      0.8056000     -0.6037000    
 N    1.512000      0.2362000       1.654900    
 C  -0.2957000     -6.5700002E-02  4.4199999E-02
 C   -1.089200       1.228600      0.1754000    
 C   -1.248300      -1.197700     -0.3712000    
 C   -1.852500       1.586300      -1.108900    
 C  -0.5404000      -2.546600     -0.5410000    
 C   0.7546000      0.1528000      -1.043200    
 C   -2.194000       1.101800       1.178800    
 C   0.2949000     -0.3776000       1.409300    
 C   -3.298900       1.140700     -0.8871000    
 C   -3.396800       1.057000      0.5982000    
 C   0.5832000      -2.495000      -1.577100    
 C   2.1600001E-02  -2.997300      0.8095000    
 C    2.341400      0.8773000      0.7374000    
 C    2.833700       1.311200      -1.619300    
 H  -0.4392000       2.068900      0.4517000    
 H   -2.058900      -1.351900      0.3510000    
 H   -1.716600     -0.9952000      -1.339900    
 H   -1.450300       1.193300      -2.044700    
 H   -1.842200       2.680000      -1.223800    
 H   -1.283800      -3.283900     -0.8705000    
 H   -2.044500       1.054300       2.248300    
 H   -3.531700      0.1790000      -1.351300    
 H   -3.994400       1.885800      -1.286600    
 H   -4.328300      0.9529000       1.135300    
 H    1.869100      0.1626000       2.603500    
 H    1.514100      -2.025000      -1.253900    
 H   0.2272000      -2.226800      -2.575400    
 H   0.9058000      -3.538400      -1.724000    
 H   0.9854000      -2.569000       1.091300    
 H   0.2837000      -4.060600      0.6870000    
 H  -0.7373000      -3.037100       1.595500    
 H    3.346300       2.208100      -1.259400    
 H    2.301300       1.546900      -2.545100    
 H    3.579100      0.5357000      -1.821600    


%chk=000048409-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000048409

0 1
O 0.494442 0.262784 -2.227921
O -0.348996 -0.673199 2.461004
O 3.597511 1.304746 1.091099
N 2.014537 0.827232 -0.585332
N 1.572188 0.344518 1.701894
C -0.283241 -0.046842 0.076300
C -1.266375 1.260700 0.180359
C -1.107821 -1.304061 -0.337025
C -1.990583 1.658057 -1.155851
C -0.408234 -2.692427 -0.492766
C 0.753810 0.320942 -0.994682
C -2.416609 1.059777 1.159317
C 0.287820 -0.189555 1.488379
C -3.513554 1.387208 -0.942872
C -3.627392 1.133942 0.548968
C 0.637963 -2.775829 -1.632070
C 0.187596 -3.267959 0.816323
C 2.469457 0.862466 0.751591
C 2.937953 1.294782 -1.647415
H -0.604337 2.085402 0.517579
H -1.907937 -1.408972 0.418323
H -1.589917 -1.061207 -1.301727
H -1.581965 1.123709 -2.028085
H -1.824920 2.735279 -1.335041
H -1.246203 -3.363579 -0.782110
H -2.255019 0.859800 2.221285
H -3.872140 0.510750 -1.519870
H -4.131745 2.246332 -1.266939
H -4.588893 1.013919 1.060014
H 1.922929 0.328580 2.665350
H 1.569411 -2.237292 -1.372351
H 0.257939 -2.346525 -2.575170
H 0.913943 -3.832381 -1.809584
H 1.109929 -2.734390 1.114642
H 0.461466 -4.329389 0.667976
H -0.522829 -3.200712 1.658166
H 3.841097 1.687956 -1.160313
H 2.446636 2.077033 -2.247261
H 3.196783 0.458002 -2.316685


