%chk=000156467.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000156467

0 1
 O  -0.4196000      -1.698500       2.517800    
 O   -1.038400      -3.284300       1.020700    
 O   -3.614100      -1.895700     -0.2185000    
 N   0.2672000     -0.2446000      0.2634000    
 N   -2.836900      -3.171700      -1.967600    
 C   -1.019900     -0.9406000      0.3335000    
 C   0.1776000      0.9006000     -0.6403000    
 C    1.318300      -1.161600     -0.1727000    
 C   -1.403700      -1.443700      -1.059700    
 C  -0.8978000       1.865800     -0.2178000    
 C    2.668100     -0.4950000     -0.2012000    
 C  -0.8321000      -2.107500       1.289000    
 C   -2.731900      -2.172100      -1.028100    
 C   -1.556300       2.619600      -1.179400    
 C    3.093700      0.1381000      -1.360600    
 C   -1.215500       1.988400       1.127700    
 C    3.467800     -0.5232000      0.9329000    
 C   -2.552800       3.513700     -0.7877000    
 C    4.344200      0.7559000      -1.386500    
 C   -2.211900       2.882600       1.519400    
 C    4.718300      9.4400004E-02  0.9068000    
 C   -2.881000       3.645100      0.5618000    
 C    5.156600      0.7343000     -0.2528000    
 H   -1.842100     -0.3608000      0.7617000    
 H    1.086300       1.509500     -0.5692000    
 H   7.1599998E-02  0.6227000      -1.695500    
 H    1.161000      -1.565900      -1.178800    
 H    1.418400      -2.035200      0.4826000    
 H   -1.552300     -0.6368000      -1.783700    
 H  -0.6803000      -2.150200      -1.477200    
 H   -1.307800       2.525800      -2.232800    
 H    2.480200      0.1521000      -2.257100    
 H  -0.6907000       1.442500       1.906400    
 H    3.135400      -1.015900       1.842200    
 H   -3.073000       4.107900      -1.533300    
 H    4.686600       1.251000      -2.290500    
 H   -2.461200       2.992000       2.570900    
 H    5.350700      7.8000002E-02   1.789700    
 H   -3.655400       4.342700      0.8670000    
 H    6.130400       1.214700     -0.2731000    
 H  -0.3066000      -2.452600       3.134700    
 H   -3.678500      -3.734100      -2.036600    
 H   -2.096700      -3.380300      -2.629900    


%chk=000156467-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000156467

0 1
O 0.105763 -1.911084 1.909013
O -1.377658 -3.347206 0.885143
O -3.532332 -0.980671 -2.408761
N 0.317542 -0.354033 -0.359677
N -3.589392 -2.784102 -0.933450
C -0.881779 -1.191250 -0.223403
C 0.060076 0.958406 -1.019096
C 1.524803 -1.045111 -0.874303
C -1.399951 -1.853410 -1.560126
C -0.945894 1.809400 -0.257376
C 2.815169 -0.356045 -0.438927
C -0.746939 -2.257609 0.869692
C -2.929126 -1.834150 -1.685202
C -2.255289 2.013240 -0.762715
C 3.886584 -0.177286 -1.346662
C -0.581532 2.407894 0.976453
C 2.967489 0.076625 0.903505
C -3.181049 2.812952 -0.051838
C 5.097120 0.419560 -0.922443
C -1.503275 3.207906 1.685660
C 4.173682 0.674852 1.327737
C -2.806418 3.414919 1.170712
C 5.243888 0.847159 0.416651
H -1.680747 -0.511749 0.144613
H 1.036081 1.475104 -1.064147
H -0.287990 0.828411 -2.072758
H 1.517685 -1.143857 -1.987140
H 1.515549 -2.075433 -0.466290
H -1.018788 -1.258070 -2.406157
H -1.012408 -2.883493 -1.650266
H -2.557134 1.534768 -1.703333
H 3.774271 -0.502100 -2.389026
H 0.425753 2.236750 1.374105
H 2.125757 -0.060698 1.591489
H -4.190327 2.960090 -0.451905
H 5.918766 0.555222 -1.634901
H -1.209269 3.672703 2.633760
H 4.283399 1.005818 2.367072
H -3.521705 4.038350 1.719355
H 6.179617 1.312745 0.746345
H 0.085414 -2.637087 2.592905
H -4.608513 -2.804282 -0.952154
H -3.060995 -3.387048 -0.294554


