%chk=000056705.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000056705

0 1
 O    2.824800      -2.574400     -0.5513000    
 O   -3.314800      -2.340900      0.7239000    
 O   -1.988100       2.151200       1.742800    
 O   -2.215700     -4.8900001E-02   2.266300    
 N    4.672100       1.410200     -0.1727000    
 N    1.078700      -1.486600      0.5454000    
 N   -1.577700      -1.653700     -0.6511000    
 C    4.486100     -6.8499997E-02 -0.1248000    
 C    3.320200       2.027900     -0.2395000    
 C    3.003900     -0.2697000     -0.1321000    
 C    2.348100      0.8880000     -0.1956000    
 C    5.152900     -0.6662000      -1.368600    
 C    5.132400     -0.6337000       1.146800    
 C    3.161200       2.828200      -1.536800    
 C    3.145400       2.942400      0.9758000    
 C    2.318900      -1.550300     -7.6600000E-02
 C   0.2113000      -2.629800      0.7178000    
 C  -0.7387000      -2.805400     -0.4551000    
 C   -2.815700      -1.514700     -3.5500001E-02
 C   -3.572300     -0.2784000     -0.3616000    
 C   -3.408000      0.8599000      0.4017000    
 C   -4.430900     -0.3182000      -1.443000    
 C   -4.131400       2.005800      7.0900001E-02
 C   -5.154300      0.8277000      -1.773700    
 C   -5.004600       1.989600      -1.016700    
 C   -2.503600      0.9085000       1.543200    
 H    5.221100       1.676900     -0.9890000    
 H    1.277500       1.031600     -0.2375000    
 H    6.214600     -0.3950000      -1.418800    
 H    4.677900     -0.3180000      -2.294000    
 H    5.107000      -1.760700      -1.366700    
 H    6.204600     -0.4073000       1.178700    
 H    5.023800      -1.723100       1.200700    
 H    4.678100     -0.2109000       2.050900    
 H    3.896300       3.639400      -1.596000    
 H    2.164100       3.279400      -1.602900    
 H    3.293900       2.194600      -2.422300    
 H    3.886000       3.750900      0.9750000    
 H    3.257100       2.391800       1.918000    
 H    2.150800       3.403900      0.9831000    
 H   0.7493000     -0.6167000      0.9508000    
 H   0.8255000      -3.528600      0.8371000    
 H  -0.3458000      -2.471200       1.647300    
 H  -0.1783000      -2.952700      -1.384700    
 H   -1.367100      -3.688000     -0.2952000    
 H   -1.242300     -0.9153000      -1.263200    
 H   -4.552800      -1.219400      -2.036800    
 H   -4.047700       2.922900      0.6481000    
 H   -5.834800      0.8149000      -2.620000    
 H   -5.570500       2.880700      -1.272700    
 H   -1.378900       2.174800       2.511300    


%chk=000056705-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000056705

0 1
O 2.694672 -2.629128 -0.260561
O -2.924144 -2.041483 1.103412
O -2.426894 2.348649 2.069728
O -1.081359 0.587067 1.418786
N 4.556630 1.373783 -0.060320
N 0.922683 -1.568979 0.802343
N -1.534320 -1.939927 -0.765414
C 4.347396 -0.109307 -0.202795
C 3.266154 2.131154 -0.035744
C 2.841270 -0.225429 0.078499
C 2.261651 1.003876 0.155236
C 4.696132 -0.618879 -1.633373
C 5.195733 -0.875312 0.844656
C 2.994717 2.903427 -1.364399
C 3.237524 3.126343 1.157452
C 2.160857 -1.554777 0.187447
C 0.136674 -2.801691 0.910164
C -0.700350 -3.091176 -0.365861
C -2.547861 -1.463998 0.036452
C -3.257763 -0.219194 -0.471348
C -3.158671 1.038953 0.195196
C -4.173182 -0.356199 -1.540973
C -3.993039 2.117464 -0.198587
C -4.986388 0.727853 -1.942794
C -4.903060 1.965044 -1.264261
C -2.134146 1.253944 1.252316
H 5.263626 1.756985 -0.698530
H 1.199178 1.212216 0.321621
H 5.771615 -0.453901 -1.840090
H 4.104472 -0.083094 -2.398628
H 4.480038 -1.697202 -1.712158
H 6.270632 -0.694408 0.658809
H 5.001192 -1.960295 0.785334
H 4.960557 -0.513937 1.860429
H 3.777366 3.670188 -1.524530
H 2.018438 3.422858 -1.336929
H 2.998225 2.212381 -2.225950
H 4.023812 3.893093 1.029034
H 3.437350 2.586785 2.098144
H 2.260264 3.641741 1.233703
H 0.482787 -0.704126 1.130574
H 0.824940 -3.650440 1.068205
H -0.540650 -2.712077 1.774526
H -0.026438 -3.331128 -1.205052
H -1.352225 -3.962146 -0.170651
H -1.226410 -1.363608 -1.550386
H -4.266764 -1.325224 -2.042814
H -3.908782 3.069576 0.332138
H -5.689672 0.601556 -2.772921
H -5.539794 2.803359 -1.564662
H -1.705074 2.453669 2.746630


