%chk=000048160.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000048160

0 1
 O    2.047100      -2.358300      0.2595000    
 O   0.2773000       1.323200      -2.056600    
 O    3.252400       1.923900       1.385000    
 N    2.572000     -0.2142000      0.8841000    
 N    1.687400       1.624800     -0.2724000    
 C  -0.5646000     -0.5536000      0.3641000    
 C   0.6434000     -0.5726000     -0.5896000    
 C   -1.832900      9.4999997E-03 -0.3037000    
 C   -3.043800      6.2399998E-02  0.6328000    
 C  -0.8355000      -1.968500      0.8815000    
 C   0.3287000      -1.478400      -1.789100    
 C    1.819600      -1.150800      0.1909000    
 C   0.8534000      0.8588000      -1.073100    
 C   -4.264400      0.6536000     -7.4500002E-02
 C    2.540700       1.165800      0.7238000    
 C   -5.480800      0.6745000      0.8373000    
 H  -0.3348000      7.7299997E-02   1.234500    
 H   -2.117900     -0.5873000      -1.176100    
 H   -1.661400       1.032700     -0.6516000    
 H   -2.801700      0.6602000       1.519500    
 H   -3.311500     -0.9422000      0.9753000    
 H   -1.228200      -2.639400      0.1119000    
 H   2.1500001E-02  -2.441700       1.362600    
 H   -1.587600      -1.940300       1.678000    
 H    1.195900      -1.495200      -2.463300    
 H   0.1483000      -2.523000      -1.519500    
 H  -0.5085000      -1.128200      -2.399600    
 H   -4.044700       1.675400     -0.4050000    
 H   -4.498600      6.6000000E-02 -0.9699000    
 H    3.275800     -0.5783000       1.520300    
 H    1.739300       2.616400     -0.4887000    
 H   -6.340100       1.104200      0.3129000    
 H   -5.749700     -0.3374000       1.156900    
 H   -5.291000       1.278200       1.730400    


%chk=000048160-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000048160

0 1
O 2.249527 -2.352412 -0.033452
O 0.284124 1.518925 -1.945001
O 3.047685 1.848721 1.774099
N 2.511674 -0.277446 0.953876
N 1.564740 1.649058 -0.025346
C -0.611313 -0.700701 0.307423
C 0.654710 -0.583751 -0.693597
C -1.935906 -0.290277 -0.396446
C -3.025666 0.172222 0.600695
C -0.726476 -2.111317 0.933133
C 0.434151 -1.360004 -2.008468
C 1.867013 -1.159336 0.056977
C 0.822965 0.918904 -0.980344
C -4.366688 0.500905 -0.095095
C 2.408125 1.125062 0.971512
C -5.447966 0.991380 0.891656
H -0.424223 0.023225 1.129403
H -2.318217 -1.151505 -0.980265
H -1.756579 0.527560 -1.119898
H -2.667573 1.072230 1.143298
H -3.202664 -0.606719 1.370050
H -0.780588 -2.895705 0.157812
H 0.120115 -2.354436 1.597328
H -1.650270 -2.168524 1.535645
H 1.336415 -1.315465 -2.642297
H 0.227114 -2.420570 -1.798335
H -0.400100 -0.919841 -2.574628
H -4.194579 1.272360 -0.872713
H -4.731124 -0.401324 -0.627242
H 3.225596 -0.678080 1.571077
H 1.568862 2.669927 -0.119297
H -6.397205 1.215732 0.371750
H -5.658119 0.226778 1.663383
H -5.122459 1.911923 1.411908


