%chk=000051712.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000051712

0 1
 O   -3.649600      -1.886800      -1.045100    
 O   -1.340100      0.2095000       1.097800    
 N    3.267500     -4.1900001E-02  0.5813000    
 N   -3.607700      0.3602000     -0.3445000    
 N  -5.6000002E-02   1.168600     -0.5854000    
 C    4.001700      -1.297000      0.4080000    
 C    4.070300       1.085100      0.1024000    
 C    1.988600     -9.4499998E-02 -0.1151000    
 C   -4.361200       1.191300      0.5642000    
 C   -5.678900      0.4536000      0.6928000    
 C    1.205100       1.188500      0.1203000    
 C   -5.299400      -1.009700      0.4996000    
 C   -2.398900      0.8361000     -0.9814000    
 C   -4.099300     -0.9410000     -0.4156000    
 C    4.267800      -1.554300      -1.072400    
 C    3.205600      -2.440700       1.028600    
 C    4.339800      0.9450000      -1.393100    
 C    5.374700       1.150600      0.8905000    
 C   -1.229900      0.6772000     -3.2699998E-02
 H    4.948000      -1.294400      0.9582000    
 H    3.575600       2.037600      0.3124000    
 H    1.998500     -0.2948000      -1.187400    
 H    1.364600     -0.8893000      0.3108000    
 H   -3.831200       1.243000       1.520300    
 H   -4.491700       2.196800      0.1543000    
 H   -6.181300      0.6425000       1.645500    
 H   -6.357100      0.7628000     -0.1125000    
 H    1.701700       2.076800     -0.2757000    
 H    1.014300       1.343400       1.188500    
 H   -4.995400      -1.472300       1.443700    
 H   -6.109400      -1.583400      4.2900000E-02
 H   -2.204200      0.2301000      -1.872600    
 H   -2.525200       1.884000      -1.269500    
 H    4.368700      -2.649000      -1.171100    
 H    3.489500      -1.365700      -1.809800    
 H    5.266800      -1.257500      -1.394700    
 H    2.853900      -2.187900       2.035300    
 H    3.846200      -3.325400       1.130300    
 H    2.348100      -2.751500      0.4227000    
 H    4.455800       1.988400      -1.736400    
 H    5.324700      0.5600000      -1.665000    
 H    3.537100      0.6227000      -2.055400    
 H    5.199300       1.074200       1.969700    
 H    5.856300       2.120800      0.7162000    
 H    6.109700      0.3942000      0.5974000    
 H  -7.1599998E-02   1.530600      -1.534800    


%chk=000051712-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000051712

0 1
O -2.455727 1.864849 -1.772259
O -0.744587 0.825940 2.412418
N 3.011307 0.105760 0.070860
N -3.253163 0.616891 0.054530
N -0.411554 1.773957 0.297453
C 3.596431 -0.797575 1.095334
C 3.735803 0.341603 -1.203997
C 1.547617 0.213197 0.008232
C -3.861428 -0.701178 0.344664
C -4.513718 -1.090677 -1.015022
C 1.055762 1.653403 0.338684
C -3.698450 -0.303389 -2.075714
C -2.718768 1.514117 1.091967
C -3.075129 0.858429 -1.295393
C 3.122432 -2.280832 1.015263
C 3.350427 -0.236708 2.519146
C 3.905411 -0.922923 -2.098680
C 5.099211 1.039094 -0.980292
C -1.197953 1.331438 1.336118
H 4.689690 -0.791678 0.919410
H 3.100861 1.055735 -1.768481
H 1.153557 -0.078405 -0.991623
H 1.080341 -0.466269 0.743408
H -3.085052 -1.426905 0.659263
H -4.599488 -0.616319 1.161920
H -4.494750 -2.180035 -1.179772
H -5.567191 -0.761625 -1.028483
H 1.487592 2.377237 -0.375438
H 1.406896 1.912388 1.352258
H -2.879878 -0.907407 -2.510973
H -4.304416 0.078643 -2.913043
H -2.919995 2.554798 0.776271
H -3.236390 1.313230 2.042850
H 3.681120 -2.899369 1.743019
H 2.048439 -2.371707 1.264274
H 3.280896 -2.703322 0.008149
H 3.781241 0.775788 2.610981
H 3.810526 -0.889734 3.284766
H 2.268214 -0.168930 2.738967
H 4.308321 -0.648092 -3.092062
H 4.607562 -1.642716 -1.638551
H 2.935918 -1.432889 -2.250329
H 4.966251 1.950999 -0.372663
H 5.553697 1.317172 -1.949506
H 5.816101 0.378274 -0.458131
H -0.892186 2.102243 -0.556295


