%chk=000135750.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000135750

0 1
 O    2.203100     -0.3745000       1.037000    
 O   -1.730400      7.8000002E-02  0.2714000    
 O   0.1617000      -1.304000       1.554300    
 O   -3.284500       3.773500     -0.4334000    
 N    4.643200     -0.9394000     -0.3708000    
 C    4.022400      0.3725000     -0.6018000    
 C    6.096200     -0.8847000     -0.5850000    
 C    4.342600      -1.417000      0.9786000    
 C    4.286000      0.8644000      -2.025800    
 C    6.427500     -0.4340000      -2.008600    
 C    5.779300      0.9076000      -2.330300    
 C    2.842000      -1.638600       1.245200    
 C    2.230000      -2.639900      0.2613000    
 C    2.567100      -2.067800       2.689300    
 C   0.8493000     -0.3310000       1.223100    
 C   0.3203000       1.004800      0.9806000    
 C  -0.9766000       1.196800      0.5028000    
 C   -1.454100       2.484300      0.2801000    
 C    1.136800       2.106800       1.234500    
 C   -3.019800      0.2353000     -0.2063000    
 C   -2.825400       2.657800     -0.2226000    
 C   -3.617400       1.416700     -0.4611000    
 C  -0.6390000       3.591100      0.5327000    
 C   0.6577000       3.397800       1.011000    
 C   -3.693300      -1.054800     -0.4080000    
 C   -5.019500       1.623800     -0.9569000    
 C   -3.602300      -1.704700      -1.639300    
 C   -4.424400      -1.630900      0.6313000    
 C   -4.242000      -2.929300      -1.831200    
 C   -5.064000      -2.855700      0.4395000    
 C   -4.972600      -3.504800     -0.7919000    
 H    4.343000       1.122900      0.1305000    
 H    2.940000      0.3313000     -0.6495000    
 H    6.532900      -1.879400     -0.4336000    
 H    6.571800     -0.2060000      0.1353000    
 H    4.737000     -0.7047000       1.717300    
 H    4.862100      -2.369300       1.149500    
 H    3.853700       1.862700      -2.162000    
 H    3.790200      0.2008000      -2.746700    
 H    6.078200      -1.189600      -2.723800    
 H    7.514000     -0.3579000      -2.129400    
 H    5.941800       1.161500      -3.383500    
 H    6.251900       1.695600      -1.731300    
 H    1.259700      -3.037100      0.5714000    
 H    2.882900      -3.514300      0.1542000    
 H    2.090600      -2.198300     -0.7321000    
 H    2.703400      -1.228600       3.381100    
 H    1.568400      -2.475000       2.864500    
 H    3.263900      -2.861300       2.984700    
 H    2.146200       1.995600       1.622000    
 H  -0.9937000       4.604300      0.3660000    
 H    1.294100       4.254700       1.212600    
 H   -5.007000       2.154200      -1.915000    
 H   -5.590700       2.221000     -0.2382000    
 H   -5.566400      0.6896000      -1.109900    
 H   -3.036000      -1.269000      -2.458900    
 H   -4.504300      -1.137200       1.596900    
 H   -4.170900      -3.434900      -2.789800    
 H   -5.632900      -3.304000       1.248800    
 H   -5.470600      -4.458400     -0.9412000    


%chk=000135750-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000135750

0 1
O 2.029836 -0.297002 1.121059
O -1.969223 0.193744 0.091124
O -0.062109 -1.316561 1.430558
O -3.634811 3.962214 -0.337818
N 4.740884 -0.753631 -0.170879
C 4.457785 0.648832 -0.576994
C 6.146873 -1.131793 -0.466788
C 4.321540 -1.068262 1.208985
C 4.713197 0.851780 -2.083975
C 6.452046 -0.985709 -1.972234
C 6.158628 0.453621 -2.455730
C 2.854371 -1.561076 1.374276
C 2.487926 -2.634686 0.338904
C 2.618892 -2.009197 2.831419
C 0.637799 -0.304643 1.178822
C 0.111636 1.078284 0.924507
C -1.210835 1.303471 0.440600
C -1.733356 2.609390 0.272812
C 0.906241 2.214721 1.204923
C -3.303771 0.320592 -0.355127
C -3.129158 2.795468 -0.200810
C -3.906275 1.566012 -0.479014
C -0.911699 3.723382 0.581840
C 0.402527 3.528261 1.038010
C -3.857173 -1.032471 -0.592871
C -5.356666 1.776588 -0.854508
C -4.921906 -1.271327 -1.506628
C -3.279122 -2.141546 0.094211
C -5.415990 -2.577495 -1.703752
C -3.783382 -3.442041 -0.104050
C -4.857321 -3.667281 -0.997446
H 5.103932 1.362854 0.002881
H 3.408531 0.876264 -0.332376
H 6.301779 -2.180885 -0.151690
H 6.871438 -0.497477 0.111364
H 4.467861 -0.204564 1.903290
H 4.958290 -1.891943 1.586012
H 4.518097 1.908844 -2.349147
H 3.997634 0.226737 -2.652610
H 5.817352 -1.699896 -2.532084
H 7.509530 -1.255060 -2.160049
H 6.318178 0.534872 -3.547604
H 6.869095 1.155861 -1.971472
H 1.438359 -2.948466 0.445987
H 3.139202 -3.516013 0.488613
H 2.673566 -2.250568 -0.677014
H 2.888085 -1.202727 3.537858
H 1.565702 -2.287644 2.990897
H 3.248460 -2.889606 3.055100
H 1.924685 2.052947 1.568111
H -1.343894 4.720527 0.449024
H 1.039622 4.386672 1.272226
H -5.497249 1.816418 -1.951800
H -5.672561 2.759391 -0.466665
H -6.012862 0.988641 -0.449115
H -5.343525 -0.450061 -2.090017
H -2.431725 -1.970379 0.765602
H -6.231199 -2.744610 -2.416188
H -3.334283 -4.282213 0.436662
H -5.246285 -4.680251 -1.149622


