%chk=000045029.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000045029

0 1
 O  -0.1199000       1.080900     -0.5756000    
 O   0.1501000      -2.873000      1.2300000E-02
 O   -3.463900     -0.4976000     -0.9641000    
 N   -1.138100      -1.027800      0.5715000    
 C    1.231600     -0.7933000      6.9600001E-02
 C    1.104200      0.5416000     -0.3143000    
 C   -2.379000      -1.742600      0.7665000    
 C   6.0199998E-02  -1.648100      0.2026000    
 C    2.493800      -1.326200      0.3318000    
 C    2.238900       1.343600     -0.4361000    
 C   -3.164400      -1.818800     -0.5331000    
 C    3.628500     -0.5240000      0.2099000    
 C    3.501100      0.8108000     -0.1740000    
 C  -0.2822000       2.473900     -0.3174000    
 C   -1.716900       2.739400     -2.4000001E-03
 C   -2.144000       3.261400       1.152700    
 H   -2.943400      -1.187800       1.523100    
 H   -2.167700      -2.747200       1.145500    
 H   -1.150800     -2.9899999E-02  0.7547000    
 H    2.615700      -2.362400      0.6367000    
 H    2.191500       2.378400     -0.7616000    
 H   -4.107200      -2.352200     -0.3817000    
 H   -2.599600      -2.323700      -1.323400    
 H    4.611400     -0.9389000      0.4134000    
 H    4.385700       1.432800     -0.2753000    
 H   0.3383000       2.806000      0.5254000    
 H  -5.7999999E-03   3.040200      -1.214200    
 H   -2.450100       2.495300     -0.7664000    
 H   -2.617900     -4.2599998E-02  -1.115400    
 H   -3.201900       3.432200       1.319300    
 H   -1.455000       3.524500       1.947500    


%chk=000045029-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000045029

0 1
O -0.117407 1.305965 0.188246
O 0.117514 -2.939609 0.278712
O -3.504113 -1.260937 -1.420076
N -1.254959 -1.082426 0.518139
C 1.167334 -0.753345 0.107920
C 1.140918 0.675256 0.053723
C -2.458790 -1.894831 0.755097
C -0.022690 -1.671584 0.303392
C 2.423031 -1.396105 -0.032648
C 2.335263 1.414240 -0.126053
C -3.094176 -2.384948 -0.563107
C 3.616403 -0.670612 -0.215544
C 3.568223 0.740229 -0.259768
C -0.194652 2.786260 0.095034
C -1.651723 3.160668 0.137341
C -2.184195 4.007747 1.051512
H -3.186103 -1.271040 1.304431
H -2.189046 -2.771060 1.373274
H -1.292723 -0.056901 0.558357
H 2.414079 -2.490642 0.006774
H 2.318820 2.506958 -0.157767
H -4.023634 -2.938585 -0.350671
H -2.385265 -3.053808 -1.089518
H 4.570489 -1.196455 -0.320423
H 4.485955 1.322590 -0.397438
H 0.365802 3.240782 0.934697
H 0.266499 3.099265 -0.864518
H -2.282612 2.723514 -0.648407
H -2.683931 -0.761587 -1.668394
H -3.243918 4.282806 1.025623
H -1.577193 4.453094 1.849561


