%chk=000059609.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000059609

0 1
 I  -0.9511000       2.501400     -0.7246000    
 I   -4.162500      -2.611000      0.3268000    
 I    1.792600      -2.755900      0.6280000    
 O    1.328300      0.3504000     -0.1173000    
 O    4.085400      0.5332000      0.3345000    
 O   -5.200800       1.872100      0.4973000    
 O    7.489700      0.4534000     -0.7766000    
 O    5.975800      -1.228800     -0.5200000    
 N   -3.483300      0.5071000     -0.3702000    
 C   -2.295600     -0.2042000     -0.1505000    
 C   -3.971600      0.6485000      -1.773900    
 C   -1.062100      0.4401000     -0.2457000    
 C   0.1161000     -0.2732000     -2.5500000E-02
 C   -2.350800      -1.561800      0.1649000    
 C   -4.197400       1.177300      0.6775000    
 C   6.0899999E-02  -1.630900      0.2899000    
 C   -4.970000     -0.4348000      -2.125800    
 C   -1.172500      -2.275200      0.3851000    
 C    1.844500      0.9337000       1.075300    
 C    3.197300       1.551700      0.7786000    
 C   -3.712000      0.9923000       2.096900    
 C    5.366500       1.060600      1.9700000E-02
 C    6.272600     -4.5899998E-02 -0.4444000    
 H   -4.450600       1.628900      -1.872000    
 H   -3.123800      0.6211000      -2.467200    
 H   -4.477500      -1.390500      -2.314200    
 H   -5.753900     -0.5396000      -1.370900    
 H   -5.466700     -0.1689000      -3.066400    
 H   -1.214300      -3.334400      0.6307000    
 H    1.166100       1.702000       1.459800    
 H    1.957300      0.1652000       1.847600    
 H    3.597700       2.026300       1.681100    
 H    3.094500       2.303900     -1.2200000E-02
 H   -2.655000       1.252800       2.184400    
 H   -3.869200     -3.7799999E-02   2.421800    
 H   -4.275700       1.652800       2.763100    
 H    5.272300       1.795100     -0.7873000    
 H    5.805200       1.518800      0.9124000    
 H    8.101900     -0.2487000      -1.084100    


%chk=000059609-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000059609

0 1
I -1.301187 2.712809 -0.477476
I -3.845460 -2.901328 0.341532
I 2.219600 -2.240602 0.318529
O 1.301075 0.829019 -0.222157
O 4.202380 0.724061 0.676499
O -5.546503 1.364704 0.562679
O 7.448390 -0.254760 -0.612922
O 5.715634 -1.577430 0.203395
N -3.613070 0.398475 -0.281874
C -2.323742 -0.196526 -0.087220
C -4.060260 0.719373 -1.673760
C -1.137457 0.595174 -0.162799
C 0.162183 0.037105 -0.034850
C -2.153352 -1.589461 0.161295
C -4.428144 0.816422 0.788614
C 0.280473 -1.362937 0.188735
C -5.067811 -0.289526 -2.257076
C -0.872954 -2.166744 0.298186
C 1.920467 1.428026 0.996710
C 3.315113 1.890037 0.605469
C -3.887789 0.600862 2.197521
C 5.434982 0.887176 -0.063314
C 6.152021 -0.456072 -0.111017
H -4.523843 1.720862 -1.634178
H -3.157045 0.780701 -2.306568
H -4.620942 -1.289345 -2.390533
H -5.946092 -0.376963 -1.596804
H -5.412309 0.070615 -3.244575
H -0.772203 -3.239149 0.476038
H 1.299592 2.285523 1.320983
H 1.981275 0.674239 1.803326
H 3.664307 2.678892 1.306620
H 3.285160 2.310587 -0.422191
H -2.903323 1.084614 2.331160
H -3.772947 -0.473541 2.426649
H -4.606340 1.040346 2.904669
H 5.246192 1.206925 -1.112941
H 6.116494 1.635456 0.395729
H 7.915733 -1.130517 -0.685482


