%chk=000054705.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000054705

0 1
 O    1.630300       1.058100     -0.8911000    
 O  -0.6890000      0.7397000     -0.6572000    
 O   -3.619200      -1.648600      0.6093000    
 N    3.295500      -1.484400      0.7926000    
 N    3.283700     -0.1598000      0.3145000    
 N   0.1382000      -1.424300     -0.8998000    
 N   -3.220300     -0.2143000      -1.169400    
 C    2.131200      -2.102600      0.3343000    
 C    1.347500      -1.240500     -0.3251000    
 C    2.061800      6.2700003E-02 -0.3328000    
 C    4.445600      0.6468000      0.2259000    
 C   -2.094200     -0.9267000      -1.713600    
 C    3.790900      -1.730200       2.143500    
 C    1.848900      -3.536700      0.6320000    
 C  -0.8311000     -0.4260000      -1.022200    
 C    4.332600       2.022600      2.4999999E-03
 C    5.713800      7.2999999E-02  0.3604000    
 C   -2.002400     -0.7360000      -3.219200    
 C    5.476100       2.816600     -8.5299999E-02
 C    6.857300      0.8670000      0.2726000    
 C   -3.899400     -0.6415000     -3.5599999E-02
 C    6.738500       2.238800      4.9800001E-02
 C   -5.057000      0.1899000      0.3836000    
 C   -5.420000      0.2059000       1.714400    
 C   -5.731400      0.9213000     -0.5721000    
 C   -6.505900      0.9883000       2.107100    
 C   -6.817400       1.703700     -0.1793000    
 C   -7.204700       1.737300       1.160300    
 H  -0.1547000      -2.385300      -1.054300    
 H   -2.228100      -1.992900      -1.495500    
 H    4.611800      -1.071300       2.436200    
 H    4.151300      -2.760700       2.229400    
 H    2.988200      -1.583800       2.875700    
 H    2.673500      -4.165500      0.2805000    
 H   0.9356000      -3.890400      0.1446000    
 H    1.729700      -3.692500       1.708900    
 H    3.368900       2.514600     -7.9700001E-02
 H    5.851900     -0.9958000      0.4961000    
 H   -2.916800      -1.081000      -3.713400    
 H   -1.861000      0.3194000      -3.478800    
 H   -1.156100      -1.293800      -3.633900    
 H   -3.436300      0.6873000      -1.582200    
 H    5.384000       3.885800     -0.2527000    
 H    7.840700      0.4162000      0.3691000    
 H    7.628800       2.856800     -1.9200001E-02
 H   -4.882800     -0.3673000       2.464100    
 H   -5.481400      0.8965000      -1.627700    
 H   -6.807000       1.015300       3.150300    
 H   -7.366400       2.281200     -0.9173000    
 H   -8.051100       2.345200       1.465800    


%chk=000054705-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000054705

0 1
O 2.174588 -0.813129 -1.919459
O -0.731018 2.907466 -0.423243
O -2.180148 -1.267256 -1.669686
N 2.802700 0.753131 1.225954
N 3.235247 0.010070 0.078212
N -0.225601 0.650789 -0.844260
N -3.267623 0.679965 -1.046099
C 1.452626 1.115196 0.994829
C 1.037720 0.592482 -0.220583
C 2.145225 -0.140826 -0.846486
C 4.411008 -0.795317 0.138571
C -2.316804 1.552907 -1.773441
C 3.762073 1.778332 1.715092
C 0.694880 1.914798 2.012025
C -1.016320 1.785225 -0.940698
C 5.062253 -1.154411 -1.070130
C 4.916758 -1.250957 1.384548
C -2.981394 2.887689 -2.132723
C 6.218333 -1.960733 -1.019886
C 6.085252 -2.041216 1.417586
C -3.168854 -0.698341 -1.086954
C 6.743335 -2.399732 0.218455
C -4.252149 -1.492151 -0.414131
C -3.966264 -2.843712 -0.091411
C -5.534091 -0.960447 -0.112033
C -4.936757 -3.645004 0.543934
C -6.505423 -1.764657 0.522708
C -6.207257 -3.106310 0.857472
H -0.559807 -0.193048 -1.348608
H -2.033224 0.998693 -2.688556
H 4.720118 1.300200 1.969120
H 3.344571 2.237979 2.623976
H 3.937221 2.563470 0.953785
H 1.115189 1.779684 3.023561
H -0.357292 1.585647 2.025463
H 0.676185 2.988023 1.752665
H 4.647063 -0.821146 -2.023719
H 4.375158 -1.017076 2.307036
H -3.899124 2.714517 -2.721627
H -3.221941 3.466899 -1.223862
H -2.288777 3.504316 -2.728181
H -3.971190 1.130480 -0.458529
H 6.713904 -2.241783 -1.955642
H 6.470846 -2.390800 2.381940
H 7.646551 -3.018561 0.247843
H -2.980502 -3.240275 -0.355179
H -5.800861 0.063389 -0.401591
H -4.706203 -4.686334 0.793166
H -7.495013 -1.351076 0.745292
H -6.962568 -3.728949 1.349586


