%chk=000056645.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000056645

0 1
 O    1.335000      -2.104900      -1.144800    
 O   -1.390400      -1.924000      -1.356900    
 O    1.920900       1.958800      0.4340000    
 N   -3.440700     -0.1490000     -0.8418000    
 N  -6.5399997E-02 -0.7565000      0.1946000    
 N    2.675000      -2.432800      -1.311500    
 C   -2.452700     -0.4173000      0.2042000    
 C   -3.026600      -1.217900       1.398500    
 C   -1.252400      -1.131100     -0.4296000    
 C   -3.558700      -2.581800      0.9455000    
 C   -2.028400      -1.409600       2.546400    
 C   -4.630700      0.4794000     -0.2704000    
 C   -2.863300      0.6997000      -1.882900    
 C    2.452000     -0.9361000      0.3906000    
 C    1.214900      -1.212900     -0.1284000    
 C    2.787500     -2.9100001E-02   1.500600    
 C    3.077100       1.414700       1.057700    
 C    3.322600      -1.722500     -0.3835000    
 C    2.140100       3.295900      6.2000002E-03
 C   0.8694000       3.816900     -0.6502000    
 C  -0.3079000       3.814900      0.3208000    
 C    4.787100      -1.830900     -0.2735000    
 C   -1.564300       4.376100     -0.3258000    
 H   -2.103000      0.5469000      0.6036000    
 H   -3.857400     -0.6614000       1.847600    
 H   -4.042700      -3.094100       1.785000    
 H   -4.305400      -2.493900      0.1509000    
 H   -2.755800      -3.235500      0.5897000    
 H   -1.603300     -0.4503000       2.859000    
 H   -2.529500      -1.847900       3.416800    
 H   -1.209900      -2.082300       2.272300    
 H  -9.8999999E-02 -8.3600000E-02  0.9561000    
 H   -4.390000       1.355500      0.3432000    
 H   -5.304400      0.8139000      -1.069100    
 H   -5.229400     -0.2226000      0.3175000    
 H   -3.617500      0.9295000      -2.645200    
 H   -2.497900       1.649400      -1.480500    
 H   -2.044700      0.2192000      -2.426800    
 H    1.956200     -1.6100001E-02   2.217300    
 H    3.658400     -0.4115000       2.046300    
 H    3.338200       2.016000       1.936200    
 H    3.917800       1.432000      0.3538000    
 H    2.408600       3.923400      0.8641000    
 H    2.961500       3.320200     -0.7191000    
 H   0.6203000       3.183000      -1.510200    
 H    1.045400       4.831500      -1.025200    
 H  -6.4400002E-02   4.408700       1.209400    
 H  -0.5161000       2.793700      0.6607000    
 H    5.067200      -2.277400      0.6861000    
 H    5.211200      -2.453200      -1.068700    
 H    5.253700     -0.8428000     -0.3409000    
 H   -1.816900       3.834600      -1.241500    
 H   -2.411900       4.301700      0.3625000    
 H   -1.429000       5.431500     -0.5839000    


%chk=000056645-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000056645

0 1
O 1.549511 -2.484631 -1.301444
O -1.281979 -2.465163 -0.643194
O 1.528275 1.733232 0.417025
N -3.129246 -0.166516 -1.208722
N 0.243653 -0.722999 -0.270363
N 2.957692 -2.944194 -1.281164
C -2.162877 -0.213452 -0.084856
C -2.843410 -0.523088 1.295392
C -1.055895 -1.257263 -0.375090
C -3.695679 -1.810579 1.268522
C -1.792086 -0.564899 2.431222
C -4.202243 0.825926 -1.013698
C -2.473346 -0.011036 -2.524811
C 2.679923 -1.137601 0.167889
C 1.444220 -1.414139 -0.414804
C 2.985783 -0.081878 1.201815
C 2.935325 1.365736 0.680902
C 3.575215 -2.110431 -0.406304
C 1.417177 3.092274 -0.157582
C -0.053282 3.520104 -0.178119
C -0.678658 3.660793 1.228315
C 5.041346 -2.302388 -0.129319
C -2.141420 4.150368 1.179614
H -1.660069 0.789543 0.031101
H -3.511346 0.336859 1.509297
H -4.234463 -1.931067 2.227398
H -4.428429 -1.783799 0.443983
H -3.060195 -2.697120 1.104031
H -1.160444 0.345284 2.441646
H -2.296802 -0.637580 3.411733
H -1.128820 -1.443946 2.332246
H 0.383288 0.269048 0.001301
H -3.818389 1.870258 -0.865225
H -4.852563 0.829308 -1.905849
H -4.829764 0.565111 -0.145815
H -3.242427 -0.021655 -3.316781
H -1.891882 0.943594 -2.619722
H -1.791384 -0.856823 -2.709707
H 2.286218 -0.158769 2.058068
H 3.999542 -0.253798 1.609543
H 3.344478 2.063645 1.443003
H 3.527478 1.468653 -0.253344
H 2.012845 3.791779 0.469460
H 1.848888 3.084821 -1.181431
H -0.637834 2.797397 -0.783188
H -0.113305 4.491946 -0.709431
H -0.068810 4.369007 1.825955
H -0.621749 2.685481 1.748361
H 5.220312 -2.516212 0.940510
H 5.427045 -3.149565 -0.719241
H 5.621982 -1.400170 -0.395774
H -2.777096 3.446287 0.608986
H -2.568830 4.242523 2.194512
H -2.215076 5.139881 0.689951


