%chk=000063585.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000063585

0 1
 I    7.043100       3.878700      0.7455000    
 O    2.043900       2.272800      -1.077500    
 N    1.640300      2.2200000E-02 -0.5088000    
 N   -3.415400      0.3056000      0.7243000    
 N    3.333100      -1.187400      0.6660000    
 N   -4.293400       1.136100      -1.141000    
 C   0.3973000      6.6999998E-03  -1.236200    
 C    2.150800      -1.127100      0.1330000    
 C   -1.992100      0.2831000      -1.279400    
 C    2.379900       1.223300     -0.5337000    
 C    3.712700       1.162000      0.1030000    
 C  -0.7886000      0.2985000     -0.5744000    
 C   -3.229800      0.5836000     -0.6015000    
 C    4.143200     -4.7899999E-02  0.6480000    
 C    1.300000      -2.329900      0.3016000    
 C   0.3999000     -0.3002000      -2.590800    
 C   -4.682900      0.7051000       1.062600    
 C   -1.999800     -2.4100000E-02  -2.640000    
 C   -5.210200       1.219900     -0.1184000    
 C  -0.8037000     -0.3157000      -3.295600    
 C    4.540700       2.290900      0.1288000    
 C    5.417700     -0.1168000       1.223000    
 C   0.4639000      -2.434100       1.407900    
 C    1.344800      -3.343000     -0.6498000    
 C   -5.391700      0.6616000       2.263600    
 C    5.807600       2.208500      0.7050000    
 C   -6.521100       1.725700     -0.1199000    
 C    6.247000       1.005100       1.250700    
 C   -6.695000       1.169200       2.244100    
 C   -7.251700       1.692200       1.074600    
 C  -0.3372000      -3.565100       1.564600    
 C   0.5437000      -4.474100     -0.4931000    
 C  -0.2973000      -4.585200      0.6141000    
 H  -0.7553000      0.5503000      0.4831000    
 H    1.326700     -0.5297000      -3.109300    
 H   -2.927000     -4.5100000E-02  -3.207700    
 H   -2.752000     -0.1306000       1.351100    
 H  -0.8093000     -0.5561000      -4.354700    
 H    4.200300       3.229600     -0.3015000    
 H    5.771400      -1.048600       1.658100    
 H   0.4254000      -1.644100       2.153100    
 H    1.996600      -3.265200      -1.515800    
 H   -4.957400      0.2551000       3.170000    
 H   -6.962600       2.134100      -1.023400    
 H    7.230700      0.9175000       1.704900    
 H   -7.285100       1.155900       3.157100    
 H   -8.267200       2.079400       1.090600    
 H  -0.9928000      -3.651000       2.426200    
 H   0.5745000      -5.268100      -1.233600    
 H  -0.9215000      -5.465600      0.7358000    


%chk=000063585-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000063585

0 1
I 7.536387 3.519670 0.466943
O 2.663538 1.778073 -2.017245
N 1.819912 -0.050740 -0.777196
N -3.243830 0.418890 0.760016
N 3.049763 -0.970336 1.088926
N -4.334772 0.820472 -1.204902
C 0.547538 0.070139 -1.480275
C 2.023941 -1.019680 0.244634
C -1.882347 0.380316 -1.380157
C 2.814289 0.967283 -1.062412
C 3.949433 0.987042 -0.122698
C -0.629843 0.255678 -0.726586
C -3.139714 0.541366 -0.638641
C 4.004316 0.042370 0.947276
C 1.086175 -2.173504 0.390460
C 0.507125 0.047349 -2.891110
C -4.583055 0.632499 1.110708
C -1.924089 0.355442 -2.801150
C -5.252117 0.884156 -0.138658
C -0.738165 0.197144 -3.542737
C 4.955216 1.977690 -0.268579
C 5.082753 0.111324 1.873673
C 0.810762 -2.644527 1.702187
C 0.533240 -2.863540 -0.721292
C -5.261415 0.630877 2.346538
C 6.004618 2.023346 0.660264
C -6.642188 1.146647 -0.153628
C 6.075552 1.093758 1.736295
C -6.647764 0.893660 2.307514
C -7.326795 1.147782 1.078193
C -0.027495 -3.760922 1.900773
C -0.291543 -3.990040 -0.519726
C -0.585678 -4.436188 0.789698
H -0.547974 0.308144 0.364817
H 1.430904 -0.063647 -3.463783
H -2.895933 0.468375 -3.290682
H -2.491775 0.169408 1.398803
H -0.777793 0.189977 -4.636753
H 4.872973 2.683111 -1.100314
H 5.120427 -0.622151 2.684188
H 1.278243 -2.133792 2.549662
H 0.755448 -2.536913 -1.741046
H -4.749770 0.439300 3.295523
H -7.156315 1.341562 -1.099415
H 6.902333 1.140911 2.450646
H -7.217029 0.904426 3.243501
H -8.403420 1.348349 1.097748
H -0.238156 -4.109348 2.917761
H -0.705400 -4.518179 -1.385259
H -1.235411 -5.305030 0.941797


