%chk=000073396.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000073396

0 1
 O   -3.295300      -1.620200     -0.4445000    
 O   0.6158000       1.204300      -1.934000    
 O  -0.8838000       3.085200     -0.4772000    
 O    4.674700      -2.914100      0.6531000    
 O    4.752500       1.625500       1.427400    
 O   -5.182600      -1.310300      0.8513000    
 N    4.692600     -0.6397000       1.015300    
 C  -0.4600000      0.7951000      0.1698000    
 C   -2.627300     -0.5731000      0.2698000    
 C   -1.232500     -0.4180000     -0.3571000    
 C   -3.435000      0.7224000      8.3899997E-02
 C   -2.721400       1.965300      0.6238000    
 C   0.8737000      0.9375000     -0.5595000    
 C   -1.320000       2.048600      2.2299999E-02
 C    1.704700     -0.3400000     -0.4404000    
 C    3.034800     -0.2348000      -1.191500    
 C   -2.551400      -1.003700       1.737900    
 C   -3.537500       3.221000      0.3275000    
 C    3.843100      -1.525900      -1.111800    
 C    3.885300      0.9292000     -0.6933000    
 C    4.420100      -1.775200      0.2618000    
 C    4.462500      0.6898000      0.6823000    
 C   -4.571800      -1.879300     -4.3299999E-02
 C   -5.141200      -2.989500     -0.8737000    
 H  -0.2517000      0.6791000       1.239800    
 H   -1.346800     -0.3583000      -1.448200    
 H  -0.6952000      -1.353000     -0.1642000    
 H   -4.417100      0.6983000      0.5610000    
 H   -3.638600      0.8543000     -0.9889000    
 H   -2.598900       1.886400       1.710800    
 H    1.404300       1.796600     -0.1390000    
 H    1.859400     -0.5847000      0.6166000    
 H    1.183100      -1.185700     -0.9004000    
 H    2.814100     -5.9300002E-02  -2.252700    
 H   -3.490900     -0.8911000       2.285000    
 H   -2.254400      -2.055900       1.821600    
 H   -1.822500     -0.4116000       2.299300    
 H   -3.656500       3.374900     -0.7507000    
 H   -4.534200       3.154800      0.7757000    
 H   -3.045500       4.110600      0.7356000    
 H    4.685200      -1.486200      -1.813500    
 H    3.221200      -2.384300      -1.390300    
 H    3.359900       1.886300     -0.7063000    
 H    4.745500       1.052200      -1.365400    
 H   0.2400000       2.097800      -2.002200    
 H    5.098200     -0.8032000       1.932800    
 H   -4.544400      -3.895300     -0.7409000    
 H   -5.162500      -2.692400      -1.925200    
 H   -6.165000      -3.196300     -0.5494000    


%chk=000073396-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000073396

0 1
O -3.352759 -1.655482 -0.291719
O 0.627142 1.158684 -2.186628
O -1.074451 3.012248 -1.011867
O 4.529726 -3.178178 0.275538
O 4.668087 1.119859 1.995467
O -5.349884 -1.490965 0.932886
N 4.597664 -0.998334 1.057944
C -0.506361 0.861124 0.025239
C -2.677307 -0.485582 0.411840
C -1.324444 -0.414028 -0.335099
C -3.508112 0.799930 0.171001
C -2.728377 2.101725 0.548515
C 0.841052 0.985985 -0.743034
C -1.398112 2.093444 -0.203157
C 1.746622 -0.245337 -0.582205
C 3.160448 -0.043644 -1.190026
C -2.506215 -0.839435 1.902355
C -3.563361 3.364037 0.272905
C 3.923370 -1.386389 -1.306004
C 4.032927 0.949646 -0.381136
C 4.360656 -1.953146 0.040054
C 4.448104 0.406451 0.981074
C -4.647817 -2.050251 0.058887
C -5.062224 -3.243929 -0.777099
H -0.268107 0.829218 1.110828
H -1.511362 -0.424427 -1.424785
H -0.738399 -1.318518 -0.093745
H -4.445434 0.760052 0.749909
H -3.778259 0.848086 -0.902710
H -2.493454 2.048167 1.633546
H 1.351105 1.887759 -0.335636
H 1.814384 -0.517267 0.491260
H 1.266801 -1.093117 -1.106185
H 3.013800 0.365314 -2.206100
H -3.481739 -0.886323 2.411021
H -2.002714 -1.817171 2.002653
H -1.882361 -0.086273 2.416173
H -3.802949 3.448911 -0.801422
H -4.509620 3.329760 0.841573
H -3.013534 4.276857 0.558911
H 4.838980 -1.249331 -1.917263
H 3.321189 -2.162242 -1.808449
H 3.531064 1.916074 -0.210635
H 4.960731 1.175642 -0.945329
H 0.149976 2.028763 -2.286152
H 4.899202 -1.372599 1.966925
H -4.360402 -4.081052 -0.619442
H -5.028457 -2.987349 -1.850086
H -6.080116 -3.553267 -0.499790


