%chk=000101298.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000101298

0 1
 O   -1.171900      -2.382700      0.5322000    
 O   -4.644800      0.4842000     -0.4908000    
 O    1.360700       1.897300      0.6461000    
 O    4.358400      -1.326800     -0.6915000    
 N   0.6627000     -0.2913000      0.4119000    
 N   -2.918800     -0.9603000      2.1700000E-02
 N   -2.504100       1.315200     -0.3368000    
 N    2.908900      0.3129000     -2.9700000E-02
 N    3.186200      -1.114000     -0.3631000    
 C  -0.6652000     -8.7099999E-02  0.1840000    
 C   -1.582700      -1.256100      0.2672000    
 C   -1.169800       1.115500     -0.1091000    
 C   -3.445100      0.2977000     -0.2848000    
 C    1.622700      0.7232000      0.3635000    
 C    4.002700       1.272100     -0.1210000    
 H  -0.6142000       2.031700     -0.2291000    
 H   0.9590000      -1.252800      0.5488000    
 H   -3.577000      -1.733000      6.9200002E-02
 H   -2.812300       2.257100     -0.5598000    
 H    4.800600      0.9708000      0.5644000    
 H    3.674600       2.279700      0.1469000    
 H    4.378800       1.288800      -1.148400    


%chk=000101298-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000101298

0 1
O -0.980556 -2.351782 0.046060
O -4.840861 0.324028 -0.064716
O 1.445690 2.042934 -0.071176
O 4.362770 -1.510305 0.048486
N 0.687089 -0.179356 -0.010001
N -2.892625 -0.994944 -0.010146
N -2.726457 1.344406 -0.082015
N 3.006327 0.278589 -0.010071
N 3.150124 -1.116752 0.030855
C -0.700845 0.049193 -0.027074
C -1.495437 -1.194423 0.006130
C -1.334004 1.274800 -0.070215
C -3.586404 0.232211 -0.053412
C 1.656002 0.796127 -0.034091
C 4.167891 1.183226 -0.028799
H -0.774478 2.210570 -0.097423
H 0.975308 -1.170963 0.021737
H -3.478435 -1.835901 0.011962
H -3.194020 2.252035 -0.114285
H 4.781667 1.024150 0.874241
H 3.786771 2.213179 -0.061868
H 4.793885 0.971080 -0.912381


