%chk=000052077.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000052077

0 1
 O   -2.506900      0.4284000     -0.7674000    
 O   -1.496200      -2.805700      -1.203800    
 O    3.366100      -2.097200      0.4545000    
 N    2.977600      0.1915000      4.6000000E-02
 N   -1.826900      -2.447100       1.036800    
 C   0.9765000       1.478600     -0.4375000    
 C    1.597400      0.2608000     -0.1599000    
 C    1.763900       2.745800     -0.5228000    
 C  -0.4028000       1.528100     -0.6400000    
 C   -1.160900      0.3597000     -0.5652000    
 C  -0.5399000     -0.8580000     -0.2878000    
 C   0.8392000     -0.9076000     -8.5100003E-02
 C    1.873200       3.450100      0.8259000    
 C   -1.313600      -2.089200     -0.2054000    
 C    3.752100     -0.9392000      0.3318000    
 C   -3.254000       1.256100      0.1214000    
 C    5.211600     -0.5914000      0.4841000    
 C   -4.645300      0.7243000      0.2172000    
 C   -5.210900      0.3122000       1.357100    
 H    2.753900       2.594200     -0.9651000    
 H    1.265500       3.428400      -1.224800    
 H  -0.8856000       2.476600     -0.8629000    
 H    1.254000      -1.883200      0.1254000    
 H   0.8841000       3.687900       1.231800    
 H    2.429300       4.386700      0.7183000    
 H    2.396600       2.826800       1.558500    
 H    3.489500       1.066900      5.5999998E-03
 H   -2.780500       1.293100       1.111300    
 H   -3.287300       2.273500     -0.2842000    
 H    5.586500     -0.1517000     -0.4444000    
 H    5.786600      -1.494600      0.7065000    
 H    5.339200      0.1210000       1.304000    
 H   -1.683200      -1.876600       1.864100    
 H   -2.368100      -3.297400       1.152600    
 H   -5.226700      0.6768000     -0.6999000    
 H   -6.228400     -6.3100003E-02   1.360900    
 H   -4.674800      0.3395000       2.299300    


%chk=000052077-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000052077

0 1
O -2.567801 -0.043092 0.219871
O -0.204161 -3.585528 0.238597
O 3.776517 -1.988426 0.017291
N 3.092996 0.258399 -0.132378
N -2.333887 -2.695981 0.432364
C 0.915809 1.375217 -0.043956
C 1.672614 0.162666 -0.031862
C 1.574096 2.749299 -0.102556
C -0.490947 1.290183 0.038951
C -1.157667 0.047973 0.140148
C -0.404879 -1.163700 0.163229
C 1.003918 -1.079576 0.073332
C 2.152050 3.206037 1.266848
C -0.967460 -2.569724 0.276809
C 4.050424 -0.761368 -0.111311
C -3.366395 1.200919 0.130304
C 5.492316 -0.272464 -0.260640
C -4.817020 0.802695 0.080076
C -5.752640 1.254149 0.950454
H 2.372146 2.778443 -0.874225
H 0.825734 3.491952 -0.434317
H -1.059042 2.225404 0.030267
H 1.567507 -2.015992 0.088142
H 1.347812 3.271266 2.020588
H 2.626382 4.200738 1.181949
H 2.905659 2.497154 1.655919
H 3.461805 1.203266 -0.243586
H -3.154613 1.845824 1.005827
H -3.076705 1.738996 -0.796782
H 5.928950 -0.720025 -1.170418
H 6.082163 -0.638213 0.597141
H 5.595253 0.825581 -0.321473
H -2.933635 -1.867499 0.455575
H -2.709351 -3.639105 0.518823
H -5.097602 0.127175 -0.739415
H -6.806093 0.969777 0.856466
H -5.493452 1.922578 1.780849


