%chk=000064138.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000064138

0 1
 O   -3.081800     -0.9675000      -2.425700    
 O   -5.354500      0.7542000       1.299800    
 N    1.520200     -4.9000001E-03  0.1020000    
 N  -0.5786000     -0.3772000     -0.8967000    
 N   -3.029100      0.7026000       1.361400    
 N  -0.5843000      0.5230000       1.142900    
 N   -4.241600     -0.1093000     -0.5716000    
 C   0.1688000      6.5899998E-02  0.1639000    
 C   -1.889800     -0.1876000     -0.5664000    
 C   -1.864800      0.3642000      0.6854000    
 C    2.303800      0.6874000     -0.9365000    
 C    2.319800     -0.7745000       1.071500    
 C   -3.078900     -0.4716000      -1.302300    
 C  -7.6899998E-02 -0.9380000      -2.131300    
 C   -4.285300      0.4733000      0.7464000    
 C    2.504700       2.131800     -0.5702000    
 C    2.335200      -2.232200      0.7030000    
 C   -2.950900       1.287500       2.694200    
 C   -5.525000     -0.3521000      -1.222300    
 C    1.575000       3.078600     -0.9809000    
 C    1.354100      -3.076700       1.206500    
 C    3.616800       2.501900      0.1749000    
 C    3.330000      -2.716600     -0.1366000    
 C    1.761000       4.418600     -0.6410000    
 C    1.368100      -4.428900      0.8645000    
 C    3.802700       3.841900      0.5148000    
 C    3.343800      -4.068900     -0.4785000    
 C    2.874700       4.800200      0.1069000    
 C    2.362800      -4.924900      2.2100000E-02
 H    1.835400      0.6477000      -1.923500    
 H    3.279200      0.2054000      -1.080800    
 H    1.905100     -0.6461000       2.080400    
 H    3.347000     -0.3952000       1.138800    
 H   0.9062000      -1.388000      -1.984700    
 H  -0.7449000      -1.740800      -2.452600    
 H  -5.1500000E-02 -0.1489000      -2.886200    
 H   -3.943800       1.500500       3.098100    
 H   -2.383900       2.222000       2.639700    
 H   -2.441500      0.5853000       3.361300    
 H   -5.420500     -0.7927000      -2.216300    
 H   -6.060700      0.5991000      -1.303400    
 H   -6.115200      -1.023200     -0.5901000    
 H   0.7036000       2.793200      -1.563700    
 H   0.5739000      -2.701600       1.863000    
 H    4.348800       1.766500      0.4958000    
 H    4.101200      -2.061200     -0.5307000    
 H    1.038300       5.164700     -0.9585000    
 H   0.6040000      -5.095400       1.253900    
 H    4.670300       4.139500       1.096500    
 H    4.118600      -4.455400      -1.134000    
 H    3.019500       5.843500      0.3716000    
 H    2.373600      -5.977800     -0.2443000    


%chk=000064138-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000064138

0 1
O -3.996922 0.117950 -2.748576
O -5.712004 1.129490 1.530711
N 0.948714 -0.626231 -0.233686
N -1.239695 -0.253733 -1.304475
N -3.427747 0.606109 1.383684
N -1.062169 0.041998 0.968549
N -4.827866 0.624987 -0.581589
C -0.392617 -0.267332 -0.190779
C -2.520285 0.106345 -0.822330
C -2.365676 0.257607 0.563673
C 1.872884 0.000144 -1.230761
C 1.577353 -0.976603 1.070341
C -3.772239 0.266959 -1.502164
C -0.962083 -0.717986 -2.672509
C -4.713570 0.806571 0.823299
C 2.404827 1.365808 -0.795092
C 2.654304 -2.045430 0.919748
C -3.229000 0.776124 2.835214
C -6.184712 0.827004 -1.138458
C 1.544203 2.493010 -0.739854
C 2.405181 -3.228179 0.177331
C 3.765950 1.526038 -0.435172
C 3.907165 -1.893280 1.562747
C 2.034813 3.752429 -0.333074
C 3.386991 -4.238324 0.082939
C 4.261753 2.787261 -0.031090
C 4.891014 -2.905581 1.475426
C 3.396697 3.903754 0.021529
C 4.634130 -4.081189 0.734053
H 1.345622 0.090342 -2.193044
H 2.710382 -0.703111 -1.379569
H 0.765215 -1.328650 1.729265
H 2.002363 -0.072063 1.550473
H -0.296410 -1.597496 -2.635141
H -1.920543 -0.982417 -3.144523
H -0.494157 0.071752 -3.288337
H -4.193864 1.076835 3.268637
H -2.465618 1.549417 3.023895
H -2.888581 -0.171348 3.286152
H -6.118767 0.661280 -2.223715
H -6.534195 1.849626 -0.921352
H -6.892684 0.116573 -0.680740
H 0.487531 2.386072 -1.015563
H 1.438217 -3.347202 -0.325842
H 4.440131 0.661092 -0.476105
H 4.111074 -0.980819 2.137338
H 1.360387 4.615149 -0.296801
H 3.181117 -5.148567 -0.491726
H 5.317675 2.897895 0.240078
H 5.854509 -2.775266 1.980978
H 3.778302 4.882361 0.333338
H 5.395599 -4.865878 0.663169


