%chk=000041444.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000041444

0 1
 I   -4.858300      -2.232100      -2.505100    
 I   -1.585500     -0.2466000       4.214300    
 O   -1.926900       1.967700     -0.8123000    
 O    1.027000      -3.082500      0.4420000    
 O   -1.274000       2.795500       1.228200    
 O   0.5826000      -1.436100      -1.096500    
 N   0.1194000       2.888800     -0.6258000    
 N    2.750800      -2.140000     -0.6589000    
 C    2.835000       1.604600     -0.4814000    
 C    3.818100      0.6128000      0.1456000    
 C    2.242200       2.539700      0.5782000    
 C    4.438600     -0.3547000     -0.8689000    
 C    1.246900       3.534200     -1.1400000E-02
 C    3.443600      -1.273500      -1.571900    
 C   -1.049100       2.571900      4.3299999E-02
 C    1.377100      -2.151400     -0.4950000    
 C   -3.185700       1.584400     -0.2474000    
 C  -0.3745000      -3.200400      0.7117000    
 C   -3.700600      0.4065000     -0.9447000    
 C  -0.7471000      -2.288300       1.792400    
 C   -4.125100     -0.5602000      -1.516000    
 C   -1.054700      -1.540300       2.679500    
 H    2.024600       1.059800     -0.9749000    
 H    3.346900       2.194600      -1.250900    
 H    3.316600      4.4900000E-02  0.9384000    
 H    4.629300       1.171300      0.6291000    
 H    3.050300       3.095300       1.068700    
 H    1.745700       1.941600       1.352700    
 H    5.181900     -0.9682000     -0.3441000    
 H    4.985200      0.2204000      -1.626100    
 H   0.8867000       4.202900      0.7781000    
 H    1.729700       4.148900     -0.7784000    
 H    3.990200      -1.926100      -2.261800    
 H    2.730500     -0.7016000      -2.173200    
 H   0.1826000       2.647300      -1.610100    
 H    3.298000      -2.803800     -0.1193000    
 H   -3.095500       1.351600      0.8197000    
 H   -3.877900       2.425000     -0.3623000    
 H  -0.9755000      -3.034100     -0.1895000    
 H  -0.5527000      -4.235900       1.020000    


%chk=000041444-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000041444

0 1
I -5.646451 -2.736954 -1.440100
I -1.092139 -0.623434 4.565966
O -1.938714 1.056966 -0.418082
O 0.641330 -2.523895 -0.230882
O -1.711728 3.199264 0.550052
O 1.000852 -0.511411 -1.412912
N 0.091209 2.095979 -0.504624
N 2.740555 -2.011362 -0.937298
C 3.240068 1.684947 -0.427174
C 3.944079 0.541206 0.340858
C 2.344944 2.569932 0.485573
C 4.711662 -0.458074 -0.558830
C 1.100534 3.137470 -0.239115
C 3.821934 -1.232668 -1.569103
C -1.195671 2.228295 -0.068330
C 1.441158 -1.580099 -0.904572
C -3.339755 1.089654 0.080944
C -0.753826 -2.076755 0.085496
C -4.025627 -0.109023 -0.407105
C -0.850432 -1.635148 1.481164
C -4.635201 -1.108922 -0.796458
C -0.942509 -1.260888 2.653998
H 2.614176 1.238712 -1.220856
H 3.995996 2.314509 -0.939157
H 3.182705 -0.012228 0.927440
H 4.649227 0.968540 1.082112
H 2.934238 3.414437 0.893812
H 1.992893 1.979348 1.354541
H 5.253507 -1.185530 0.079197
H 5.483404 0.079389 -1.147476
H 0.607033 3.910670 0.374668
H 1.407705 3.613245 -1.193173
H 4.451118 -1.924107 -2.160755
H 3.342047 -0.534833 -2.275451
H 0.364627 1.205859 -0.949465
H 2.954134 -2.882088 -0.448182
H -3.329733 1.121489 1.187293
H -3.832847 2.012894 -0.276991
H -1.040504 -1.256957 -0.598795
H -1.379599 -2.964527 -0.102230


