%chk=000099432.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000099432

0 1
 O    2.772500     -0.2247000      0.6800000    
 O   -1.774600       1.078400       1.420300    
 O    2.841800      0.4409000      -1.534900    
 N   -3.581400      0.7837000      3.5000001E-03
 N   -1.959800     -0.9112000      0.2286000    
 N    4.374900       1.347300     -3.9000001E-02
 C   -4.298100     -5.4299999E-02 -0.9556000    
 C   -4.189100       2.076200      0.2934000    
 C   -2.374600      0.3668000      0.6118000    
 C   -5.302700     -0.9534000     -0.2649000    
 C   -3.688000       3.149300     -0.6512000    
 C  -0.6325000      -1.399800      0.1415000    
 C   0.4193000     -0.5581000      0.4592000    
 C  -0.4185000      -2.706700     -0.2610000    
 C    1.726100      -1.038400      0.3718000    
 C   0.8880000      -3.187000     -0.3485000    
 C    1.960300      -2.352900     -3.1900000E-02
 C    3.301400      0.5239000     -0.3964000    
 C    4.910400       1.441000       1.315200    
 C    5.024500       2.179200      -1.041900    
 H   -3.600400     -0.6467000      -1.555400    
 H   -4.818100      0.5971000      -1.668000    
 H   -3.931000       2.360800       1.319600    
 H   -5.279800       1.989600      0.2438000    
 H   -5.823400      -1.575000     -0.9999000    
 H   -6.054500     -0.3660000      0.2727000    
 H   -4.823700      -1.616200      0.4622000    
 H   -4.140700       4.114900     -0.4057000    
 H   -3.936000       2.911300      -1.690600    
 H   -2.600000       3.255900     -0.5857000    
 H   -2.668700      -1.578700     -5.7000000E-02
 H   0.2937000      0.4765000      0.7524000    
 H   -1.246600      -3.364300     -0.5101000    
 H    1.070600      -4.210400     -0.6630000    
 H    2.975700      -2.733500     -0.1017000    
 H    5.965200       1.152100       1.294800    
 H    4.380100      0.7930000       2.015600    
 H    4.821900       2.477000       1.655100    
 H    4.569900       2.053500      -2.027700    
 H    6.080900       1.901500      -1.099200    
 H    4.936700       3.227100     -0.7405000    


%chk=000099432-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000099432

0 1
O 2.785092 0.212058 -0.041867
O -1.677125 1.555170 0.495264
O 4.705171 -1.027510 -0.699334
N -3.840105 0.781135 0.070409
N -1.981529 -0.637056 -0.319181
N 4.866885 1.127917 0.208979
C -4.790314 -0.210414 -0.473499
C -4.389665 2.065254 0.566125
C -2.448684 0.621589 0.104606
C -5.226469 -1.288371 0.549002
C -4.582276 3.109018 -0.554810
C -0.632751 -1.060880 -0.466798
C 0.479664 -0.230415 -0.192569
C -0.417499 -2.394469 -0.917801
C 1.781765 -0.744017 -0.376594
C 0.894034 -2.873779 -1.087719
C 2.022406 -2.063481 -0.823272
C 4.177106 0.010972 -0.220567
C 4.245176 2.338418 0.768270
C 6.334385 1.123712 0.108909
H -4.371007 -0.680936 -1.385552
H -5.683614 0.343194 -0.815934
H -3.685311 2.458530 1.317429
H -5.351383 1.853718 1.072353
H -5.963558 -1.977095 0.096288
H -5.693648 -0.816294 1.431263
H -4.371004 -1.887737 0.910592
H -5.021250 4.037143 -0.144120
H -5.255823 2.736127 -1.349002
H -3.608273 3.357273 -1.009178
H -2.673970 -1.356753 -0.525982
H 0.328413 0.789452 0.162370
H -1.273326 -3.046470 -1.135334
H 1.049835 -3.900717 -1.436089
H 3.038641 -2.430027 -0.962959
H 4.606070 2.511316 1.801022
H 3.154262 2.227764 0.784352
H 4.510130 3.221583 0.154777
H 6.660560 0.167216 -0.325072
H 6.791003 1.243978 1.110334
H 6.679685 1.953583 -0.537410


