%chk=000042504.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000042504

0 1
 O    4.191400     -4.6999998E-02 -0.3500000    
 O   -2.140900       1.763600      -1.005000    
 O   0.8398000       2.406400     -0.7222000    
 O    2.654400       1.022100      0.9840000    
 N   0.5380000      5.3599998E-02 -0.4565000    
 C    1.865000     -0.3669000     -0.8270000    
 C  -0.4480000     -0.9641000     -8.2699999E-02
 C   -1.221900      -1.487900      -1.075000    
 C  -0.5241000      -1.316500       1.231800    
 C    1.979500      -1.881600     -0.7530000    
 C   0.1501000       1.427200     -0.4409000    
 C    2.929600      0.2875000      4.0700000E-02
 C   -2.161100      -2.455800     -0.7190000    
 C   -1.463300      -2.284500       1.587700    
 C   -1.116800      -1.081600      -2.509400    
 C   0.3382000     -0.7248000       2.299500    
 C   -2.281700      -2.854200      0.6122000    
 C   -1.232700       1.732300     -2.6900001E-02
 C   -1.729000       1.986400       1.193100    
 C   -3.109900       2.205500      0.9742000    
 C   -3.310200       2.058700     -0.3786000    
 C    5.253700      0.5215000      0.4231000    
 H    2.033000     -1.5799999E-02  -1.852700    
 H    2.979100      -2.189000      -1.086700    
 H    1.886100      -2.276800      0.2632000    
 H    1.288700      -2.409500      -1.415100    
 H   -2.804800      -2.910700      -1.467200    
 H   -1.568700      -2.607500       2.620000    
 H  -0.2765000      -1.591700      -2.989900    
 H   -2.026200      -1.344700      -3.061700    
 H  -0.9888000     -2.9000000E-03  -2.629800    
 H    1.329400      -1.187500       2.290200    
 H   0.4465000      0.3563000       2.202300    
 H  -9.3800001E-02 -0.8961000       3.292400    
 H   -3.012400      -3.608500      0.8891000    
 H   -1.203000       2.029800       2.135200    
 H   -3.864500       2.443100       1.710100    
 H   -4.178100       2.128600      -1.018000    
 H    6.202000      0.1740000      4.8000002E-03
 H    5.185200      0.1880000       1.463000    
 H    5.222500       1.613600      0.3637000    


%chk=000042504-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000042504

0 1
O 4.036587 0.449502 -0.525474
O -2.187427 1.013400 0.383116
O 1.256945 2.010991 -0.440070
O 2.879158 0.158207 1.474579
N 0.493814 -0.168936 -0.258281
C 1.871688 -0.560770 -0.695752
C -0.529443 -1.182996 -0.055146
C -1.240918 -1.660893 -1.192544
C -0.785925 -1.678266 1.252960
C 2.092394 -2.087914 -0.708838
C 0.290033 1.208495 -0.191311
C 2.927269 0.080325 0.226631
C -2.207851 -2.676659 -1.005913
C -1.759899 -2.699234 1.396996
C -0.996179 -1.073615 -2.570847
C -0.089302 -1.109292 2.473174
C -2.463566 -3.198597 0.281465
C -1.022144 1.789259 0.161052
C -1.336859 3.136254 0.319855
C -2.736330 3.217195 0.653538
C -3.216722 1.915777 0.681861
C 5.144890 1.072086 0.236372
H 2.055392 -0.140691 -1.702177
H 3.125404 -2.289438 -1.041148
H 1.953304 -2.522802 0.294905
H 1.400945 -2.591755 -1.403634
H -2.762168 -3.054776 -1.872916
H -1.965014 -3.097677 2.397730
H 0.063837 -1.147480 -2.876683
H -1.603566 -1.591703 -3.332151
H -1.260245 0.000218 -2.599399
H 0.959694 -0.830736 2.274577
H -0.600130 -0.184224 2.806665
H -0.121243 -1.824091 3.313812
H -3.210148 -3.990125 0.413175
H -0.625644 3.950590 0.205301
H -3.312343 4.119565 0.847828
H -4.187332 1.468766 0.879218
H 5.934960 1.245633 -0.507460
H 5.489490 0.397767 1.038718
H 4.800393 2.021243 0.679214


