%chk=000159508.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000159508

0 1
 O   -2.824900      0.5401000      -1.858400    
 O    3.289900       1.254000      -1.229200    
 N   -5.867100      0.1908000      0.1934000    
 C   -7.160600     -0.4592000     -6.0400002E-02
 C   -6.047100       1.592900      0.5958000    
 C   -8.051100     -0.4205000       1.182500    
 C   -6.901300       1.698700       1.859900    
 C   -8.247900       1.007100       1.679200    
 C   -5.010000      0.1039000     -0.9886000    
 C   -3.626700      0.6600000     -0.6907000    
 C    2.729700     -6.9600001E-02  -1.079800    
 C    3.043800     -0.8019000      0.2175000    
 C    1.261500      9.1200002E-02  -1.285400    
 C   -1.475600      0.3927000      -1.668900    
 C    3.814500     -0.2532000       1.167200    
 C    4.356300       1.079000      0.9491000    
 C    4.072900       1.761700     -0.2335000    
 C   0.5025000      0.8085000     -0.3607000    
 C   0.6474000     -0.4748000      -2.402500    
 C    2.532500      -2.151600      0.4020000    
 C  -0.8707000      0.9597000     -0.5531000    
 C  -0.7259000     -0.3235000      -2.594900    
 C    5.165900       1.686000       1.917400    
 C    4.591500       3.041800     -0.4476000    
 C    1.303800      -2.351600       1.030800    
 C    3.271000      -3.244800     -5.0500002E-02
 C    5.683900       2.963900       1.701900    
 C    5.396400       3.641800      0.5197000    
 C   0.8133000      -3.645500       1.207200    
 C    2.780500      -4.538600      0.1259000    
 C    1.551700      -4.738900      0.7548000    
 H   -7.680400      2.0199999E-02 -0.9005000    
 H   -7.001700      -1.509900     -0.3325000    
 H   -5.099000       2.070600      0.8557000    
 H   -6.505500       2.179000     -0.2115000    
 H   -7.597700      -1.025200       1.978200    
 H   -9.024200     -0.8700000      0.9547000    
 H   -6.367800       1.243600       2.704300    
 H   -7.060000       2.753100       2.113300    
 H   -8.852500       1.566700      0.9549000    
 H   -8.799500       1.003800       2.625600    
 H   -4.897800     -0.9434000      -1.298500    
 H   -5.446800      0.6285000      -1.849000    
 H   -3.650900       1.725500     -0.4489000    
 H   -3.204700      9.6400000E-02  0.1524000    
 H    3.163800     -0.6564000      -1.900300    
 H    4.058000     -0.7717000       2.089000    
 H   0.9631000       1.266500      0.5107000    
 H    1.224500      -1.037200      -3.131600    
 H   -1.418700       1.549600      0.1750000    
 H   -1.200600     -0.7664000      -3.465800    
 H    5.401300       1.172700       2.846800    
 H    4.370700       3.578000      -1.366900    
 H   0.7184000      -1.516200       1.405200    
 H    4.230100      -3.105400     -0.5436000    
 H    6.310900       3.429700       2.456600    
 H    5.798400       4.636500      0.3515000    
 H  -0.1420000      -3.801700       1.699800    
 H    3.355200      -5.390100     -0.2265000    
 H    1.170200      -5.746300      0.8927000    


%chk=000159508-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000159508

0 1
O -2.907783 -0.000430 -1.625729
O 3.409194 0.799098 -1.308346
N -6.123119 0.795977 0.091447
C -7.503716 0.271730 -0.068589
C -6.124499 2.263952 0.325650
C -8.351338 0.567207 1.186154
C -6.925468 2.623712 1.592802
C -8.369838 2.082661 1.493619
C -5.207176 0.395080 -1.002394
C -3.780881 0.231581 -0.459068
C 2.800238 -0.566164 -1.063562
C 3.338591 -1.193437 0.223346
C 1.280897 -0.459078 -1.144255
C -1.534762 -0.148791 -1.394367
C 3.676927 -0.352630 1.258268
C 3.654367 1.098821 1.114625
C 3.525367 1.644498 -0.198215
C 0.466347 -0.301834 0.001230
C 0.656767 -0.465858 -2.421770
C 3.430683 -2.670773 0.304095
C -0.931918 -0.143679 -0.110988
C -0.733447 -0.316201 -2.553371
C 3.837986 1.994817 2.201245
C 3.600837 3.033330 -0.424979
C 4.299591 -3.306329 1.240368
C 2.666685 -3.505693 -0.563315
C 3.894335 3.387560 1.989378
C 3.781524 3.903467 0.673477
C 4.382999 -4.710100 1.321563
C 2.755158 -4.911779 -0.485685
C 3.609887 -5.524067 0.458718
H -8.009482 0.721563 -0.964274
H -7.444206 -0.819696 -0.236781
H -5.080178 2.612407 0.428078
H -6.566030 2.804718 -0.553862
H -7.914457 0.020955 2.044528
H -9.379583 0.186633 1.032761
H -6.421220 2.179182 2.472437
H -6.928416 3.722712 1.726215
H -8.905810 2.615953 0.680949
H -8.924384 2.280982 2.430207
H -5.539964 -0.572030 -1.420608
H -5.193526 1.126775 -1.844924
H -3.450569 1.144712 0.075506
H -3.731346 -0.627594 0.237496
H 3.171599 -1.121833 -1.942683
H 3.988232 -0.762751 2.226332
H 0.925835 -0.309213 0.995095
H 1.274238 -0.577887 -3.321488
H -1.533625 -0.023808 0.794541
H -1.221046 -0.320427 -3.532924
H 3.942773 1.586403 3.214160
H 3.512725 3.411542 -1.447949
H 4.938990 -2.694967 1.886569
H 1.973136 -3.055734 -1.281723
H 4.031639 4.068364 2.835928
H 3.830358 4.984538 0.502125
H 5.063544 -5.171943 2.045919
H 2.151188 -5.529787 -1.159573
H 3.680050 -6.615819 0.517489


