%chk=000158838.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000158838

0 1
 O    4.297700       2.578000     -0.6276000    
 O    5.646800       1.196100       1.368000    
 O   -5.124800     -0.4834000       1.917800    
 O   -6.099200       1.698400      0.4989000    
 N   0.8940000      -2.541400     -0.9120000    
 C    1.062900      -1.084900      -1.112200    
 C    2.297400     -0.4932000     -0.4514000    
 C  -0.2030000     -0.3568000     -0.6319000    
 C    1.150900      -2.935800      0.4786000    
 C    2.553300      -2.572300      0.9721000    
 C    2.977500      -1.185400      0.5667000    
 C   -1.448200     -0.9733000      -1.255000    
 C    1.688000      -3.322000      -1.861500    
 C    2.757100      0.7751000     -0.8411000    
 C    4.104900     -0.6065000       1.166900    
 C    3.874400       1.345300     -0.2317000    
 C    4.547700      0.6550000      0.7721000    
 C   -2.691200     -0.2615000     -0.7837000    
 C   -3.338300     -0.7062000      0.3592000    
 C   -3.166700      0.8257000      -1.501300    
 C   -4.488600     -4.8099998E-02  0.7948000    
 C   -4.316700       1.483700      -1.065700    
 C   -4.977700       1.047000      8.2300000E-02
 C    5.249200       2.627400      -1.688800    
 C    5.427200       2.000100       2.525800    
 C   -6.141500      -1.468800       1.746200    
 C   -6.533200       2.807900     -0.2853000    
 H    1.144700     -0.8977000      -2.192800    
 H  -0.1455000      0.7060000     -0.9037000    
 H  -0.2760000     -0.3775000      0.4638000    
 H   0.4063000      -2.458900       1.128600    
 H   0.9843000      -4.013000      0.6047000    
 H    2.573700      -2.659400       2.065100    
 H    3.283700      -3.285900      0.5714000    
 H   -1.552700      -2.036000      -1.005600    
 H   -1.391000     -0.9262000      -2.350300    
 H    1.526400      -4.394700      -1.707500    
 H    1.369800      -3.106900      -2.887800    
 H    2.762400      -3.122400      -1.791800    
 H    2.237700       1.322300      -1.625000    
 H    4.643200      -1.147400       1.942200    
 H   -2.957500      -1.557200      0.9179000    
 H   -2.656900       1.173600      -2.395400    
 H   -4.638400       2.326300      -1.668000    
 H    4.829800       2.189600      -2.600300    
 H    5.491000       3.675700      -1.883600    
 H    6.167800       2.102700      -1.407800    
 H    4.800000       2.863300       2.282100    
 H    4.961100       1.408700       3.320200    
 H    6.396300       2.361100       2.880900    
 H   -5.720700      -2.382400       1.314200    
 H   -6.558000      -1.706200       2.728900    
 H   -6.945000      -1.086900       1.108500    
 H   -5.793500       3.615700     -0.2859000    
 H   -7.436400       3.204600      0.1900000    
 H   -6.815800       2.500400      -1.297900    


%chk=000158838-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000158838

0 1
O 4.362737 2.545422 -0.772975
O 5.680288 1.203490 1.479619
O -5.044445 -0.879353 1.790882
O -6.226960 1.454935 0.666316
N 0.959621 -2.666304 -0.915674
C 1.109552 -1.203682 -1.161722
C 2.351678 -0.597152 -0.482606
C -0.179461 -0.434114 -0.745605
C 1.157324 -3.006444 0.516051
C 2.580804 -2.660256 1.028029
C 3.014802 -1.267061 0.584207
C -1.419450 -0.871075 -1.568912
C 1.760037 -3.503470 -1.835918
C 2.834256 0.663377 -0.911401
C 4.109959 -0.630572 1.219476
C 3.941199 1.278222 -0.297775
C 4.568767 0.634918 0.808602
C -2.710045 -0.263344 -1.043358
C -3.362998 -0.831401 0.080487
C -3.281947 0.892164 -1.624732
C -4.534609 -0.271210 0.627575
C -4.454945 1.474890 -1.091047
C -5.084286 0.912523 0.043177
C 5.738256 2.566879 -1.322715
C 5.384770 2.475599 2.179333
C -6.478096 -1.234285 1.805111
C -6.743244 2.717441 0.135850
H 1.215980 -1.077584 -2.259508
H -0.005897 0.651896 -0.870519
H -0.377903 -0.589763 0.332035
H 0.406482 -2.452784 1.109493
H 0.949108 -4.083670 0.652951
H 2.617027 -2.740906 2.131754
H 3.303977 -3.406407 0.638909
H -1.461269 -1.976314 -1.535597
H -1.268060 -0.581086 -2.628126
H 1.561514 -4.569531 -1.621146
H 1.447058 -3.304308 -2.876783
H 2.862733 -3.338739 -1.775262
H 2.361221 1.188368 -1.750040
H 4.623301 -1.112290 2.059830
H -2.969856 -1.736001 0.558330
H -2.809179 1.348612 -2.502582
H -4.864016 2.374936 -1.560806
H 5.798291 1.923951 -2.221711
H 5.927582 3.615538 -1.599202
H 6.471097 2.225176 -0.569577
H 4.985676 3.229667 1.477091
H 4.656652 2.300308 2.994188
H 6.345468 2.809166 2.600911
H -6.708237 -1.941214 0.983779
H -6.637439 -1.727734 2.776320
H -7.109931 -0.335536 1.716672
H -5.977120 3.515355 0.185320
H -7.591634 2.976591 0.786687
H -7.095490 2.605567 -0.908386


