%chk=000071684.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000071684

0 1
 O   -3.845400       2.736300       1.295800    
 O    2.765200      -1.855100      0.5780000    
 O   -3.618000      -2.953800      0.9659000    
 O   -4.798900      -2.736200      -1.540300    
 N  -0.5716000       1.653500     -9.0200000E-02
 N    2.161700      0.8239000     -7.8299999E-02
 C   7.7699997E-02   1.251600       1.163400    
 C   0.4053000       2.303800     -0.9725000    
 C    1.221600      0.2691000      0.9004000    
 C    1.559200       1.355700      -1.307200    
 C   -1.696000       2.549200      0.1783000    
 C   -2.757300       1.850200       1.036800    
 C    3.466200      0.3223000     -0.1493000    
 C   -3.303800      0.6187000      0.3484000    
 C    3.763100      -1.016700      0.1793000    
 C    4.529800       1.153000     -0.5566000    
 C   -3.206700     -0.6083000      0.9816000    
 C   -3.888500      0.7455000     -0.8998000    
 C    5.068200      -1.503400      0.1036000    
 C    5.834800      0.6662000     -0.6322000    
 C    6.104000     -0.6619000     -0.3020000    
 C   -3.710100      -1.743900      0.3469000    
 C   -4.391800     -0.3899000      -1.534400    
 C   -4.302600      -1.634500     -0.9112000    
 C    3.133800      -3.195400      0.8954000    
 H  -0.5979000      0.7274000       1.842800    
 H   0.4644000       2.129600       1.698300    
 H   0.8028000       3.215700     -0.5067000    
 H  -7.6600000E-02   2.599900      -1.912200    
 H    1.719200      7.1000002E-02   1.857900    
 H   0.7796000     -0.6609000      0.5218000    
 H    1.196000      0.5208000      -1.920500    
 H    2.288600       1.906800      -1.911600    
 H   -1.361900       3.460600      0.6942000    
 H   -2.139700       2.901400     -0.7616000    
 H   -2.377300       1.599400       2.031100    
 H    4.348000       2.196100     -0.8060000    
 H   -3.482400       3.528500       1.727400    
 H   -2.746600     -0.6924000       1.962400    
 H   -3.980200       1.707300      -1.395100    
 H    5.353900      -2.521500      0.3440000    
 H    6.642000       1.322100     -0.9451000    
 H    7.120700      -1.039500     -0.3605000    
 H   -4.853900     -0.2902000      -2.513000    
 H    3.531100      -3.723300      2.1800000E-02
 H    2.218500      -3.718400       1.191900    
 H    3.813200      -3.235400       1.753600    
 H   -3.178900      -2.837500       1.825900    
 H   -5.170300      -2.470100      -2.399000    


%chk=000071684-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000071684

0 1
O -3.196088 2.783616 1.630538
O 3.902867 -1.768586 1.613589
O -4.059210 -2.190491 -1.925170
O -6.526612 -1.098655 -2.224742
N -0.397604 0.808423 0.042061
N 2.121313 -0.635685 -0.225417
C 0.459130 0.523717 1.224612
C 0.420264 0.940248 -1.193557
C 1.297272 -0.755923 1.000494
C 1.269407 -0.338465 -1.392254
C -1.308603 1.955722 0.258174
C -2.590758 1.568515 1.058704
C 3.469707 -0.205514 -0.185110
C -3.654430 0.892384 0.199701
C 4.412195 -0.778648 0.742599
C 3.985258 0.747911 -1.110171
C -3.354941 -0.330814 -0.453836
C -4.938554 1.457571 0.040417
C 5.766847 -0.384264 0.740821
C 5.347761 1.119626 -1.127692
C 6.244725 0.563839 -0.194995
C -4.314657 -0.979331 -1.258074
C -5.902486 0.808264 -0.764596
C -5.606927 -0.407430 -1.417815
C 4.853499 -2.459910 2.485091
H -0.186148 0.381956 2.111990
H 1.147709 1.381174 1.439366
H 1.092144 1.833799 -1.147996
H -0.262960 1.070247 -2.053492
H 1.944370 -0.955765 1.865026
H 0.607269 -1.614896 0.878503
H 0.571513 -1.190655 -1.520931
H 1.881457 -0.266992 -2.306092
H -0.786950 2.785020 0.805233
H -1.621007 2.359543 -0.721302
H -2.295202 0.881036 1.882395
H 3.304191 1.223120 -1.822616
H -2.520290 3.243996 2.188775
H -2.346788 -0.753706 -0.346033
H -5.173232 2.395078 0.548118
H 6.467089 -0.830051 1.453760
H 5.695503 1.855941 -1.860516
H 7.300654 0.852921 -0.188860
H -6.900385 1.252034 -0.882934
H 5.643533 -2.964582 1.895883
H 4.254809 -3.210381 3.022818
H 5.320191 -1.765725 3.211394
H -3.139004 -2.494319 -1.723203
H -7.385641 -0.607612 -2.251058


