%chk=000162926.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000162926

0 1
 O  -7.7600002E-02 -0.9441000      -2.375800    
 O  -0.6817000       1.603100      -1.717400    
 O   0.3210000      -3.972400       1.027900    
 N   0.1749000      -1.641700       1.016700    
 N   0.1476000      -2.722100     -0.9210000    
 C   6.4900003E-02 -0.5450000      5.4299999E-02
 C   -1.253700      0.2302000      0.1626000    
 C    1.301400      0.3462000      0.2061000    
 C   3.7099998E-02  -1.391200      -1.240600    
 C   0.2265000      -2.906000      0.4361000    
 C   -1.556800       1.263700     -0.7296000    
 C   -2.167200     -0.1009000       1.168500    
 C    1.497800       1.072400       1.380700    
 C    2.230900      0.4319000     -0.8304000    
 C   -2.760600       1.959100     -0.6168000    
 C   -3.371100      0.5945000       1.281200    
 C    2.623800       1.884200       1.518800    
 C    3.357000       1.243500     -0.6923000    
 C   -3.667600       1.624600      0.3886000    
 C    3.553400       1.969700      0.4824000    
 H   0.2279000      -1.502300       2.021700    
 H   0.1553000      -3.473800      -1.600800    
 H   -1.980800     -0.8933000       1.886500    
 H   0.7856000       1.016700       2.199500    
 H    2.133500     -0.1187000      -1.758600    
 H   -3.004800       2.763800      -1.305300    
 H   -4.077900      0.3347000       2.063900    
 H    2.777100       2.449200       2.433500    
 H    4.082500       1.308500      -1.497900    
 H   -4.605000       2.166100      0.4766000    
 H    4.430500       2.601100      0.5902000    
 H   -1.055600       2.336900      -2.234600    


%chk=000162926-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000162926

0 1
O -0.174756 -0.994650 -2.459996
O -0.545207 1.922616 -1.369451
O 0.421496 -3.967196 1.141024
N 0.209749 -1.595633 1.053188
N 0.053830 -2.722808 -0.869437
C 0.062705 -0.522703 0.032765
C -1.273205 0.237621 0.203643
C 1.309218 0.384317 0.092383
C -0.031790 -1.390444 -1.283433
C 0.250713 -2.882294 0.537540
C -1.551223 1.421788 -0.536852
C -2.288862 -0.270572 1.047076
C 1.428800 1.291292 1.175036
C 2.373633 0.264279 -0.829969
C -2.804698 2.068782 -0.418400
C -3.541931 0.368843 1.171876
C 2.599116 2.062301 1.337317
C 3.545006 1.037209 -0.668594
C -3.799715 1.543616 0.432085
C 3.664685 1.935225 0.416002
H 0.505438 -1.400598 2.008780
H -0.006149 -3.522257 -1.500403
H -2.088160 -1.187856 1.609605
H 0.595294 1.411019 1.878864
H 2.284989 -0.406856 -1.690289
H -3.000005 2.982566 -0.995022
H -4.307141 -0.049754 1.833080
H 2.679403 2.762491 2.176381
H 4.362235 0.941583 -1.392150
H -4.767575 2.050087 0.512390
H 4.574639 2.532927 0.539704
H -0.872233 2.683659 -1.910044


