%chk=000070877.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000070877

0 1
 O   -4.571800       2.812300      7.7799998E-02
 O   -1.455000      0.7059000     -0.7532000    
 O   -4.132100       1.191300       1.618900    
 O    2.187500     -0.5726000      9.2100002E-02
 O   0.5861000     -0.7668000       1.726900    
 N   -3.414600     -0.4783000     -0.4154000    
 N   0.1139000      -1.262400     -0.4927000    
 C   -4.325800      0.6167000     -0.7215000    
 C   -5.681600     -5.1199999E-02 -0.9187000    
 C   -5.601300      -1.287500     -2.6400000E-02
 C   -4.146600      -1.714300     -0.1506000    
 C   -2.038500     -0.3559000     -0.5288000    
 C   -4.325200       1.536200      0.4626000    
 C   -1.255600      -1.631500     -0.3463000    
 C   0.9333000     -0.8575000      0.5540000    
 C    3.132800     -0.1415000       1.077500    
 C    4.448900      0.1276000      0.4090000    
 C    5.381700     -0.8964000      0.2881000    
 C    4.723800       1.398400     -8.3899997E-02
 C    6.605100     -0.6465000     -0.3335000    
 C    5.947200       1.648300     -0.7055000    
 C    6.887800      0.6257000     -0.8304000    
 H   -3.973000       1.151100      -1.610000    
 H   -6.530100      0.5901000     -0.6618000    
 H   -5.791400     -0.3660000      -1.963600    
 H   -6.297300      -2.075500     -0.3273000    
 H   -5.826900      -1.014500       1.011300    
 H   -3.999900      -2.383300      -1.005500    
 H   -3.772000      -2.202100      0.7534000    
 H   -1.429000      -2.050100      0.6483000    
 H   -1.509100      -2.353600      -1.126200    
 H   0.5191000      -1.284700      -1.423800    
 H   -4.577000       3.430100      0.8398000    
 H    3.248500     -0.9181000       1.844000    
 H    2.765000      0.7672000       1.570400    
 H    5.171000      -1.891700      0.6695000    
 H    3.997500       2.201500      6.0999999E-03
 H    7.337300      -1.442700     -0.4313000    
 H    6.167300       2.638700      -1.093000    
 H    7.840200      0.8203000      -1.314700    


%chk=000070877-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000070877

0 1
O -5.135583 2.010916 -2.510486
O -1.877636 -0.170135 -2.042660
O -3.807751 2.485378 -0.660551
O 2.378212 -1.595808 -1.005998
O 1.479041 -1.832824 1.173028
N -3.392203 -0.335297 -0.295846
N 0.199715 -1.070438 -0.630992
C -4.508012 0.140897 -1.135341
C -5.760955 -0.204362 -0.278725
C -5.247325 -0.057502 1.176888
C -3.795853 -0.594836 1.113368
C -2.127263 -0.441720 -0.823007
C -4.401942 1.653800 -1.375934
C -1.025615 -0.912830 0.136378
C 1.352024 -1.517983 -0.044742
C 3.722474 -2.000008 -0.476097
C 4.545826 -0.799244 -0.059976
C 5.441562 -0.189580 -0.974482
C 4.429632 -0.268969 1.251579
C 6.207509 0.933682 -0.590151
C 5.193995 0.854483 1.636760
C 6.085043 1.457817 0.717902
H -4.504725 -0.356462 -2.118352
H -6.617912 0.448903 -0.508127
H -6.057969 -1.247739 -0.487352
H -5.861900 -0.615680 1.901871
H -5.240137 1.005560 1.473338
H -3.755237 -1.680384 1.331979
H -3.128539 -0.071969 1.821197
H -0.895832 -0.170173 0.951231
H -1.313787 -1.864205 0.627384
H 0.162326 -0.803167 -1.620946
H -5.071093 2.993842 -2.654362
H 4.175281 -2.530081 -1.329021
H 3.558438 -2.691508 0.368519
H 5.534356 -0.593865 -1.990143
H 3.727638 -0.735178 1.952291
H 6.897187 1.397334 -1.304477
H 5.097602 1.257883 2.651118
H 6.679606 2.328149 1.018535


