%chk=000116137.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000116137

0 1
 O   0.7835000       2.631900     -8.9999998E-04
 O   -1.785900       2.276200      0.4961000    
 O   -4.970000     -0.8473000      0.4555000    
 N   -2.671700      0.4676000     -0.6533000    
 C    3.354700       1.422800      2.1100000E-02
 C    2.087900      0.6317000      9.6000005E-03
 C    1.058600      -3.006900      2.2000000E-03
 C   0.9840000      -1.517400      3.0000001E-04
 C    2.156400     -0.7615000      9.8999999E-03
 C   0.8472000       1.269000     -3.9999999E-04
 C  -0.3250000      0.5132000     -9.9999998E-03
 C  -0.2567000     -0.8801000     -9.4999997E-03
 C    4.214000       1.172800      -1.231700    
 C    4.191300       1.172700       1.289200    
 C   0.4369000      -3.629200      -1.262300    
 C   0.4181000      -3.627200       1.258500    
 C   -1.631700       1.156800     -2.0900000E-02
 C   -4.016600      0.9840000     -0.7674000    
 C   -4.874900      0.5706000      0.4142000    
 H    3.127700       2.496000      1.8999999E-02
 H    2.114600      -3.310200      1.0300000E-02
 H    3.119800      -1.264800      1.7999999E-02
 H   -1.157600      -1.486400      1.6700000E-02
 H    4.580800      0.1420000      -1.280100    
 H    5.086100       1.835700      -1.237200    
 H    3.638300       1.367700      -2.143500    
 H    3.599200       1.367700       2.190400    
 H    5.063200       1.835500       1.310400    
 H    4.557000      0.1418000       1.344200    
 H  -0.6416000      -3.446800      -1.321200    
 H   0.5926000      -4.713400      -1.272700    
 H   0.8970000      -3.214600      -2.166200    
 H   0.8622000      -3.208500       2.168500    
 H   0.5775000      -4.710800       1.274700    
 H  -0.6618000      -3.449200       1.299600    
 H   -2.488800     -0.4166000      -1.115800    
 H  -0.1279000       2.936400     -0.1318000    
 H   -4.427900      0.5769000      -1.697000    
 H   -3.980300       2.075100     -0.8471000    
 H   -5.885700      0.9766000      0.3141000    
 H   -4.453700      0.9172000       1.363300    
 H   -4.066800      -1.197400      0.5415000    


%chk=000116137-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000116137

0 1
O 0.642631 2.534069 -0.165541
O -1.837388 2.254467 -0.454672
O -5.044383 0.135562 1.535691
N -2.863282 0.191519 -0.539830
C 3.279485 1.494848 0.146900
C 2.057223 0.588684 -0.006887
C 1.246538 -3.206404 -0.149456
C 1.054540 -1.686401 -0.148044
C 2.169628 -0.815532 -0.006100
C 0.756872 1.157480 -0.158185
C -0.397618 0.307681 -0.296823
C -0.218254 -1.103141 -0.291059
C 4.273684 1.306600 -1.030098
C 3.984261 1.267139 1.510624
C 0.849945 -3.834972 -1.512389
C 0.482201 -3.890561 1.015117
C -1.725432 0.959155 -0.435664
C -4.197319 0.799096 -0.716602
C -4.819271 1.261300 0.616966
H 2.914751 2.536778 0.120951
H 2.327164 -3.401866 0.003598
H 3.166383 -1.261861 0.107546
H -1.082096 -1.771900 -0.403868
H 4.676050 0.276060 -1.058284
H 5.128843 1.999792 -0.924181
H 3.784713 1.508111 -2.000042
H 3.288950 1.438819 2.351868
H 4.837963 1.961403 1.621529
H 4.375681 0.235616 1.596083
H -0.227030 -3.688364 -1.719507
H 1.046943 -4.923217 -1.512585
H 1.417659 -3.378798 -2.343080
H 0.787109 -3.474808 1.992212
H 0.678311 -4.978903 1.023548
H -0.610653 -3.749035 0.913721
H -2.786485 -0.824238 -0.552496
H -0.365897 2.748631 -0.289777
H -4.852736 0.043790 -1.184520
H -4.104411 1.668289 -1.392730
H -5.820498 1.682033 0.426737
H -4.182369 2.042013 1.075981
H -4.168407 -0.159330 1.891649


