%chk=000053365.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000053365

0 1
 O  -0.8098000      -1.011400     -9.6000001E-02
 N    2.870500     -0.7968000     -0.1324000    
 N    6.024700     -0.5036000      0.1348000    
 C    2.976000      0.6284000     -0.4574000    
 C    3.918500      -1.620400     -0.7325000    
 C    4.381100       1.235300     -0.5253000    
 C    5.145800      -1.678000      0.1881000    
 C    5.361200      0.7437000      0.5392000    
 C    1.535900      -1.292200     -0.4711000    
 C   0.4673000     -0.5093000      0.2751000    
 C    7.206100     -0.7355000      0.9725000    
 C   -1.856400     -0.3184000      0.5702000    
 C   -1.809800       1.154600      0.2205000    
 C   -3.209500     -0.9468000      0.2986000    
 C   -2.255900       2.081600       1.145600    
 C   -4.196500     -0.8607000       1.262900    
 C   -1.322600       1.539400      -1.015800    
 C   -3.422700      -1.590200     -0.9063000    
 C   -2.213100       3.438200      0.8238000    
 C   -5.441200      -1.438700       1.013200    
 C   -1.280000       2.896000      -1.337700    
 C   -4.667400      -2.168300      -1.156000    
 C   -1.725200       3.845400     -0.4179000    
 C   -5.676800      -2.092500     -0.1961000    
 H    2.462200       1.198600      0.3258000    
 H    2.480300      0.8574000      -1.410500    
 H    4.176000      -1.303800      -1.751100    
 H    3.567100      -2.657100     -0.8249000    
 H    4.279200       2.324400     -0.4279000    
 H    4.807000       1.070300      -1.524100    
 H    4.829300      -1.884200       1.220300    
 H    5.729900      -2.551600     -0.1316000    
 H    6.124500       1.527000      0.6380000    
 H    4.876500      0.6527000       1.519600    
 H    1.436700      -2.349100     -0.1909000    
 H    1.351000      -1.245800      -1.552700    
 H   0.5589000      0.5530000      7.1199998E-02
 H   0.6051000     -0.6537000       1.355000    
 H    6.944500     -0.8504000       2.030600    
 H    7.915400      9.4599999E-02  0.8795000    
 H    7.741000      -1.635200      0.6482000    
 H   -1.659300     -0.4325000       1.646700    
 H   -2.632400       1.777900       2.117700    
 H   -4.024500     -0.3591000       2.210300    
 H  -0.9995000      0.8223000      -1.765000    
 H   -2.654300      -1.652200      -1.670900    
 H   -2.558800       4.177500       1.540300    
 H   -6.226700      -1.380700       1.761000    
 H  -0.9068000       3.212700      -2.307200    
 H   -4.851700      -2.675400      -2.098600    
 H   -1.693300       4.901600     -0.6690000    
 H   -6.646000      -2.542200     -0.3906000    


%chk=000053365-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000053365

0 1
O -0.742065 -0.717547 -0.349476
N 2.987542 -0.574214 -0.611647
N 5.992944 -0.740901 0.448523
C 3.369490 0.790955 -1.042982
C 3.995503 -1.632859 -0.858804
C 4.855697 1.132744 -0.792765
C 4.975913 -1.810617 0.321312
C 5.431013 0.633367 0.552587
C 1.587190 -0.912338 -0.941431
C 0.598122 -0.247301 0.031756
C 6.935457 -1.039685 1.547293
C -1.812847 -0.200230 0.526757
C -1.985444 1.311547 0.361939
C -3.082940 -1.000232 0.218549
C -1.738890 2.189469 1.443897
C -4.327680 -0.571136 0.745698
C -2.368634 1.852187 -0.892190
C -3.031353 -2.193926 -0.540716
C -1.881588 3.588264 1.284669
C -5.500358 -1.324659 0.521624
C -2.505900 3.246360 -1.056672
C -4.207607 -2.944291 -0.771087
C -2.265365 4.119426 0.032891
C -5.445051 -2.516238 -0.239049
H 2.737559 1.512639 -0.488742
H 3.148226 0.948600 -2.131420
H 4.572692 -1.470209 -1.797157
H 3.459158 -2.592896 -0.976952
H 4.951556 2.234780 -0.847769
H 5.496843 0.717970 -1.591870
H 4.356033 -1.905582 1.250318
H 5.524438 -2.765185 0.183906
H 6.268750 1.294153 0.846042
H 4.652009 0.708080 1.352456
H 1.447767 -2.005197 -0.860674
H 1.306483 -0.620365 -1.983562
H 0.644983 0.858753 -0.030800
H 0.833263 -0.553638 1.073652
H 6.453973 -1.063618 2.558642
H 7.737182 -0.279588 1.569582
H 7.404918 -2.025769 1.375945
H -1.521053 -0.397598 1.585977
H -1.434698 1.778258 2.415353
H -4.380508 0.359268 1.323558
H -2.555156 1.171678 -1.730684
H -2.069498 -2.516032 -0.947907
H -1.691205 4.258342 2.130649
H -6.455388 -0.981143 0.935360
H -2.802568 3.655465 -2.029191
H -4.156297 -3.864226 -1.365037
H -2.375896 5.202249 -0.094978
H -6.355216 -3.100531 -0.416173


