%chk=000108549.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000108549

0 1
 O   -2.445900       1.802900      -2.584000    
 O  -0.5483000       2.012300      -1.491700    
 O   -5.857300      -1.718000       1.181700    
 O   -6.062200     -0.7305000     -0.7730000    
 N    2.332200      0.7800000      0.5052000    
 N   -1.715700       1.570400      -1.593800    
 N   -5.397700      -1.011800      0.2528000    
 C    3.439300     -2.4300000E-02  8.0799997E-02
 C    1.005900      0.3197000      0.3598000    
 C    2.679800       2.080600       1.088600    
 C    3.194700      -1.283400     -0.5188000    
 C   0.8031000     -0.9829000     -0.2743000    
 C    1.818200      -1.745700     -0.6935000    
 C  -0.1098000      0.9664000      0.7516000    
 C    4.785200      0.3661000      0.2275000    
 C   -1.480800      0.4703000      0.5921000    
 C    4.251700      -2.099700     -0.9494000    
 C    3.071700       1.948100       2.545800    
 C    5.835100     -0.4521000     -0.2031000    
 C   -2.235200      0.7692000     -0.5374000    
 C    5.569000      -1.682400     -0.7910000    
 C   -2.011600     -0.3151000       1.610100    
 C   -3.535600      0.2774000     -0.6502000    
 C   -4.073900     -0.5107000      0.3670000    
 C   -3.311900     -0.8069000       1.497200    
 H    3.457900       2.593700      0.5111000    
 H    1.836200       2.776700       1.022300    
 H  -0.1912000      -1.386000     -0.4343000    
 H  -5.9700001E-02   1.927100       1.256000    
 H    1.636600      -2.707100      -1.161300    
 H    5.076300       1.310700      0.6754000    
 H    4.057200      -3.065500      -1.409800    
 H    2.241600       1.541900       3.134300    
 H    3.931000       1.290600       2.701400    
 H    3.323300       2.930300       2.958600    
 H    6.862800     -0.1229000     -7.6899998E-02
 H    6.385500      -2.315700      -1.124500    
 H   -1.431100     -0.5543000       2.497900    
 H   -4.134300      0.5050000      -1.529200    
 H   -3.697900      -1.417400       2.309500    


%chk=000108549-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000108549

0 1
O -3.275043 3.197920 -1.218614
O -1.176561 3.268708 -0.343065
O -5.746479 -2.076639 0.988150
O -6.447109 -0.015895 0.283653
N 2.449006 0.533737 0.142364
N -2.297530 2.647853 -0.571759
N -5.517746 -0.863969 0.588065
C 3.612479 -0.270933 0.087975
C 1.145148 -0.010176 -0.003548
C 2.603369 1.996707 0.393318
C 3.502150 -1.652909 -0.298932
C 1.072559 -1.389178 -0.458985
C 2.192780 -2.170999 -0.617125
C 0.011657 0.807014 0.190530
C 4.902659 0.242555 0.411575
C -1.369013 0.394481 0.259971
C 4.669217 -2.461044 -0.380996
C 2.516768 2.367517 1.887661
C 6.039303 -0.582193 0.329437
C -2.479575 1.270983 -0.071152
C 5.934688 -1.938234 -0.074425
C -1.753597 -0.914252 0.736369
C -3.824352 0.857214 0.021735
C -4.116980 -0.436622 0.474510
C -3.078502 -1.330551 0.849082
H 3.566981 2.313279 -0.036084
H 1.831131 2.529081 -0.185165
H 0.089744 -1.773720 -0.734560
H 0.148651 1.882097 0.280823
H 2.105212 -3.196275 -0.992861
H 5.032772 1.271129 0.753825
H 4.559406 -3.507383 -0.688555
H 1.543091 2.072822 2.313753
H 3.312333 1.872212 2.471607
H 2.625000 3.459894 2.008402
H 7.017644 -0.165368 0.591372
H 6.828194 -2.566493 -0.137701
H -0.966661 -1.579185 1.101202
H -4.628146 1.540264 -0.263031
H -3.340446 -2.316449 1.241676


