%chk=000100717.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000100717

0 1
 O   -2.127700      0.4971000     -0.9926000    
 O   -1.804100      -2.423600       1.070100    
 O   -4.057200      -1.823900     -0.3486000    
 O   -3.433800       2.889500     -0.3426000    
 N    1.124100      -1.011700     -0.4335000    
 N    2.917700       1.876500      0.4887000    
 N    4.578100      0.1371000      0.1128000    
 N    3.969800      -2.082900     -0.5438000    
 C   -1.353400     -0.6080000     -0.4843000    
 C   -2.054900      -1.061700      0.7870000    
 C   -3.510500     -0.7839000      0.4620000    
 C   -3.425400      0.5010000     -0.3550000    
 C   6.8499997E-02 -0.1522000     -0.2629000    
 C   -3.534200       1.755300      0.5005000    
 C   0.5686000       1.075400      0.1121000    
 C    2.300800     -0.3571000     -0.1736000    
 C    1.978200      0.9523000      0.1701000    
 C    3.622900     -0.7652000     -0.2006000    
 C    4.172600       1.385900      0.4342000    
 H   -1.366100      -1.396800      -1.247700    
 H   -1.748600     -0.4589000       1.651000    
 H   -4.143700     -0.6990000       1.350200    
 H   -4.170700      0.5301000      -1.157900    
 H   -2.721200       1.812800       1.231300    
 H   -4.494600       1.790200       1.023900    
 H    1.046200      -1.981500     -0.7077000    
 H  -1.5500000E-02   1.960900      0.3219000    
 H  -0.8467000      -2.524600       1.205000    
 H   -3.984800      -2.651300      0.1574000    
 H   -3.507100       3.675900      0.2247000    
 H    4.963000       2.086400      0.6809000    
 H    3.257700      -2.760500     -0.7791000    
 H    4.945700      -2.346900     -0.5535000    


%chk=000100717-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000100717

0 1
O -1.814091 -0.603680 -0.768286
O -2.191874 -0.597199 2.896192
O -4.256457 -1.224570 1.318004
O -3.196020 0.941608 -2.767605
N 0.795605 -0.181735 -0.427782
N 3.660277 -1.111789 1.553652
N 4.536428 0.214566 -0.318546
N 3.208495 1.125440 -2.025276
C -1.328714 -1.052405 0.556138
C -2.071929 -0.096442 1.533610
C -3.491147 -0.047780 0.914408
C -3.231204 -0.140505 -0.609790
C 0.165398 -0.936365 0.564766
C -3.411973 1.188699 -1.338448
C 1.119684 -1.413426 1.470392
C 2.171526 -0.173891 -0.183978
C 2.401450 -0.931738 1.016283
C 3.289805 0.392500 -0.855625
C 4.648398 -0.514748 0.841033
H -1.652449 -2.090636 0.770539
H -1.596776 0.904797 1.508830
H -4.028328 0.878417 1.202915
H -3.896365 -0.905600 -1.047811
H -2.689978 1.939450 -0.948087
H -4.446118 1.548026 -1.144624
H 0.265306 0.176616 -1.223579
H 0.945837 -2.058601 2.329425
H -1.297554 -0.654312 3.316385
H -4.046645 -1.394919 2.276026
H -3.435998 1.752554 -3.282152
H 5.667076 -0.622762 1.227115
H 2.339693 1.258893 -2.533438
H 4.082343 1.468241 -2.420284


