%chk=000050431.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000050431

0 1
 N    1.473900     -0.7765000      -1.746400    
 N   0.8370000      -2.292800       1.590300    
 C    1.085600     -0.7735000     -0.3243000    
 C    2.135100      4.5400001E-02  0.4749000    
 C    2.472200       1.440700     -4.8099998E-02
 C  -0.3782000     -0.2990000     -0.1836000    
 C    1.270300       2.320100     -0.3463000    
 C   0.1365000       2.113600      0.6476000    
 C  -0.7892000      0.9741000      0.2802000    
 C    1.236900      -2.230700      0.2036000    
 C   -1.402900      -1.198100     -0.5785000    
 C   -2.171000       1.249200      0.4218000    
 C   -2.760200     -0.8975000     -0.4540000    
 C   -3.146000      0.3249000      6.2899999E-02
 H    3.089500     -0.5006000      0.5020000    
 H    1.827400      0.1343000       1.525200    
 H    3.098000       1.371400     -0.9462000    
 H    3.095800       1.937800      0.7067000    
 H   0.9197000       2.165200      -1.373400    
 H    1.603700       3.364800     -0.2992000    
 H  -0.4398000       3.048600      0.6579000    
 H   0.5030000       1.979800       1.671900    
 H    2.282200      -2.557500      0.1231000    
 H   0.6647000      -2.960600     -0.3789000    
 H    1.330300      0.1432000      -2.158600    
 H   0.8869000      -1.423400      -2.271300    
 H   -1.159900      -2.166900      -1.007700    
 H   -2.499600       2.214000      0.8049000    
 H   0.9974000      -3.233200       1.949300    
 H  -0.1628000      -2.126100       1.687300    
 H   -3.507900      -1.622700     -0.7610000    
 H   -4.198000      0.5688000      0.1719000    


%chk=000050431-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000050431

0 1
N 1.488098 -0.838063 -1.755270
N 0.763130 -2.377050 1.601447
C 1.091078 -0.783680 -0.316246
C 2.143404 0.061222 0.451413
C 2.483442 1.460608 -0.111136
C -0.390326 -0.295549 -0.145904
C 1.258230 2.387620 -0.323028
C 0.138907 2.128669 0.716193
C -0.808005 0.993307 0.324797
C 1.218814 -2.253282 0.209134
C -1.409422 -1.212682 -0.540544
C -2.200018 1.281843 0.390759
C -2.783710 -0.911218 -0.470130
C -3.188698 0.352913 0.010294
H 3.080203 -0.528009 0.457868
H 1.816048 0.125704 1.504347
H 3.053092 1.360950 -1.055719
H 3.175612 1.940780 0.609404
H 0.831361 2.254883 -1.336854
H 1.585221 3.443880 -0.262753
H -0.466146 3.046138 0.839792
H 0.601556 1.933562 1.704471
H 2.288869 -2.518737 0.156902
H 0.698123 -2.942819 -0.502044
H 1.519547 0.091714 -2.191554
H 0.885440 -1.466286 -2.303854
H -1.119005 -2.200629 -0.918559
H -2.507952 2.272270 0.748901
H 1.102668 -3.207658 2.092059
H -0.242362 -2.224739 1.727009
H -3.526046 -1.653333 -0.785247
H -4.250555 0.614471 0.078051


