%chk=000122641.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000122641

0 1
 O  -0.3914000       1.302400      0.8331000    
 O   -1.923900       3.655300      0.7902000    
 O    1.875300      -1.948000       1.985000    
 O   -4.400300      -1.979300      0.2807000    
 O    5.175900     -0.4912000     -0.8667000    
 N    1.359100     -0.2190000      0.5036000    
 N   -3.183300     -0.3247000     -0.8150000    
 N    3.512300      -1.211300      0.5576000    
 C   -2.238800     -5.1500000E-02  0.2288000    
 C  -0.9805000     -0.8832000      0.1155000    
 C   -1.674200       1.363100      0.1836000    
 C   1.8000000E-03 -7.3500000E-02  0.9421000    
 C   -2.548000       2.387400      0.8855000    
 C    1.820400      0.6105000     -0.5109000    
 C    2.215700      -1.180000       1.082800    
 C   -4.188500      -1.270000     -0.6994000    
 C    3.061700      0.5780000      -1.011200    
 C    4.022900     -0.4092000     -0.4517000    
 C   -5.053300      -1.336500      -1.929600    
 C    3.537200       1.480700      -2.103800    
 H   -2.707400     -0.2483000       1.202000    
 H   -1.099900      -1.906500      0.4855000    
 H  -0.6606000     -0.9554000     -0.9325000    
 H   -1.481500       1.684300     -0.8483000    
 H  -7.8100003E-02 -0.3516000       2.000000    
 H   -2.649700       2.155100       1.950200    
 H   -3.545200       2.447100      0.4393000    
 H   -3.078700      0.1712000      -1.695800    
 H    1.108700       1.313500     -0.9305000    
 H   -1.863300       3.884800     -0.1528000    
 H    4.146700      -1.896000      0.9595000    
 H   -5.745200      -2.179500      -1.849300    
 H   -5.626200     -0.4100000      -2.025400    
 H   -4.432200      -1.475500      -2.819100    
 H    4.381600       2.086500      -1.759000    
 H    2.752000       2.166100      -2.439900    
 H    3.860100      0.8948000      -2.970500    


%chk=000122641-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000122641

0 1
O -0.445314 1.177820 1.147773
O -1.888479 3.579212 -0.128074
O 1.635753 -2.474602 1.128025
O -5.008403 0.141878 0.107501
O 4.938160 -0.572857 -1.597663
N 1.385635 -0.239751 0.451130
N -3.020134 -0.798740 -0.641116
N 3.259366 -1.479891 -0.250658
C -2.209768 -0.261853 0.457620
C -0.977779 -1.154750 0.772270
C -1.573222 1.128748 0.170427
C 0.109766 -0.158670 1.266742
C -2.469140 2.343156 0.417897
C 1.909547 0.882893 -0.196145
C 2.069252 -1.471623 0.487401
C -4.392417 -0.589878 -0.726434
C 3.089793 0.859043 -0.905143
C 3.849238 -0.398202 -0.976869
C -5.099852 -1.300374 -1.874382
C 3.656768 2.068567 -1.606605
H -2.868123 -0.165139 1.339622
H -1.190444 -1.922710 1.529377
H -0.626480 -1.678524 -0.135031
H -1.166709 1.145869 -0.865769
H 0.386181 -0.316621 2.321692
H -2.549245 2.513732 1.503835
H -3.482075 2.146473 0.016998
H -2.562888 -1.396275 -1.332184
H 1.310361 1.789120 -0.075580
H -2.099067 3.638786 -1.093379
H 3.776934 -2.364922 -0.251014
H -5.830142 -2.015337 -1.456884
H -5.670373 -0.561300 -2.461888
H -4.416771 -1.845460 -2.548669
H 4.661437 2.311427 -1.215490
H 3.005448 2.949774 -1.479094
H 3.784383 1.871578 -2.686642


