%chk=000106580.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000106580

0 1
 O    1.399100       2.664200      0.1146000    
 O   -1.395600       2.672200     -0.1117000    
 O    3.199000       3.322800      -1.133200    
 O   -3.200400       3.322900       1.133200    
 O    6.710000      -5.431600       1.087100    
 O   -6.711400      -5.431700      -1.087000    
 N    3.227300       1.347600      0.1310000    
 N   -3.212100       1.354600     -0.1341000    
 N    6.206000      -3.366800      8.8100001E-02
 N   -6.207400      -3.366800     -8.8100001E-02
 C    6.139400     -0.9164000      0.2654000    
 C   -6.140900     -0.9164000     -0.2654000    
 C    4.495200      0.8148000     -0.1037000    
 C   -4.496600      0.8148000      0.1037000    
 C    4.871500     -0.3847000      0.5005000    
 C   -4.872900     -0.3847000     -0.5005000    
 C    7.031000     -0.2486000     -0.5741000    
 C   -7.032500     -0.2486000      0.5741000    
 C    5.386900       1.482500     -0.9432000    
 C   -5.388300       1.482600      0.9432000    
 C    6.541900      -2.198500      0.9116000    
 C   -6.543400      -2.198500     -0.9116000    
 C    6.654800      0.9508000      -1.178400    
 C   -6.656300      0.9509000       1.178400    
 C   0.6890000       3.831500     -0.3151000    
 C  -0.6904000       3.831500      0.3151000    
 C    2.670600       2.520400     -0.3734000    
 C   -2.672100       2.520300      0.3734000    
 C    6.458800      -4.395600      0.5898000    
 C   -6.460200      -4.395600     -0.5897000    
 H    4.176200     -0.9074000       1.153800    
 H   -4.177100     -0.9068000      -1.153700    
 H    8.021000     -0.6534000     -0.7670000    
 H   -8.022500     -0.6533000      0.7671000    
 H    5.166900       2.414100      -1.445800    
 H   -5.167900       2.414200       1.445600    
 H    6.057300      -2.270100       1.896700    
 H    7.623100      -2.175200       1.112800    
 H   -6.058700      -2.270100      -1.896700    
 H   -7.624600      -2.175200      -1.112800    
 H    7.349800       1.469600      -1.832500    
 H   -7.351200       1.469700       1.832400    
 H    2.628300      0.8096000      0.7527000    
 H   -2.614400      0.8155000     -0.7558000    
 H   0.5982000       3.802200      -1.407100    
 H    1.239000       4.728800     -1.1400000E-02
 H  -0.5973000       3.805000       1.406900    
 H   -1.237800       4.730900      1.2600000E-02


%chk=000106580-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000106580

0 1
O 1.464244 2.544228 0.091364
O -1.463138 2.544750 -0.091058
O 3.169231 3.211850 -1.391854
O -3.168020 3.212941 1.392142
O 5.003537 -4.371155 3.413181
O -5.004783 -4.368710 -3.414259
N 3.338400 1.291874 -0.001265
N -3.337757 1.293056 0.001461
N 5.763485 -2.750398 1.762809
N -5.764684 -2.747233 -1.764565
C 6.291723 -0.974726 0.118585
C -6.291773 -0.972617 -0.118853
C 4.626560 0.777233 -0.312818
C -4.626084 0.778733 0.312910
C 5.032163 -0.400800 0.369321
C -5.032019 -0.399059 -0.369442
C 7.161613 -0.370123 -0.823069
C -7.161523 -0.367866 0.822838
C 5.492761 1.385793 -1.256140
C -5.492110 1.387418 1.256299
C 6.752582 -2.241081 0.838443
C -6.752871 -2.238897 -0.838702
C 6.754038 0.799471 -1.497787
C -6.753604 0.801476 1.497776
C 0.648224 3.681887 -0.392848
C -0.646835 3.682055 0.393089
C 2.727110 2.416470 -0.526573
C -2.726214 2.417410 0.526892
C 5.446821 -3.596083 2.580726
C -5.447847 -3.593419 -2.581895
H 4.369470 -0.879545 1.100023
H -4.369509 -0.877795 -1.100314
H 8.146039 -0.808393 -1.027691
H -8.146122 -0.805827 1.027291
H 5.177802 2.290353 -1.779650
H -5.176930 2.291842 1.779910
H 7.692778 -2.026456 1.386526
H 6.990562 -3.020917 0.086400
H -7.693869 -2.024504 -1.385485
H -6.989504 -3.019199 -0.086706
H 7.425541 1.267022 -2.226162
H -7.425008 1.269156 2.226159
H 2.783133 0.783452 0.690686
H -2.782521 0.784479 -0.690400
H 0.467925 3.571243 -1.476470
H 1.202231 4.623345 -0.221687
H -0.466486 3.571505 1.476722
H -1.200460 4.623762 0.221940


