%chk=000005095.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005095

0 1
 O   -3.561900       2.789900      -1.485000    
 N    2.647100     -0.1268000      0.2962000    
 N   -3.997600      0.6057000     -0.7320000    
 C    1.292200     -0.5733000     -9.2000002E-03
 C   0.3149000     -0.2398000       1.128500    
 C   -1.066100     -0.7145000      0.8410000    
 C    2.677600       1.322100      0.5008000    
 C    3.568400     -0.5084000     -0.7753000    
 C   -1.983800      8.5299999E-02  0.1884000    
 C   -1.838300       1.477500     -0.3384000    
 C   -3.271400     -0.3778000     -6.9899999E-02
 C    4.097800       1.782400      0.8199000    
 C    3.585400      -2.025500     -0.9443000    
 C   -1.472300      -1.995000       1.230100    
 C   -3.222500       1.752600     -0.9367000    
 C   -3.697900      -1.636200      0.3030000    
 C   -2.776800      -2.451700      0.9632000    
 C    4.153000       3.283500       1.058400    
 C    4.552300      -2.450100      -2.038700    
 H   0.9350000     -0.1427000     -0.9545000    
 H    1.240600      -1.660500     -0.1116000    
 H   0.2505000      0.8348000       1.322700    
 H   0.6693000     -0.6872000       2.067100    
 H    2.295700       1.859000     -0.3773000    
 H    2.072400       1.616300       1.362800    
 H    3.307200     -2.1600001E-02  -1.723900    
 H    4.602400     -0.2479000     -0.5365000    
 H   -1.643600       2.194500      0.4633000    
 H   -1.084100       1.534200      -1.127300    
 H    4.484000       1.259600       1.702900    
 H    4.791500       1.606200     -6.5000001E-03
 H    3.864900      -2.514400     -3.3000000E-03
 H    2.615100      -2.423800      -1.252300    
 H  -0.7808000      -2.658100       1.745000    
 H   -4.961600      0.4937000      -1.022700    
 H   -4.703000      -1.985000      9.5899999E-02
 H   -3.068100      -3.451100       1.275200    
 H    3.813200       3.835300      0.1759000    
 H    3.522400       3.569500       1.906400    
 H    5.178500       3.595800       1.280000    
 H    4.274500      -2.010100      -3.001900    
 H    5.575000      -2.140100      -1.801300    
 H    4.547000      -3.539300      -2.148900    


%chk=000005095-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000005095

0 1
O -3.861870 3.157558 -0.549360
N 2.598749 -0.006615 -0.101073
N -4.171965 0.821081 -0.305990
C 1.197041 -0.424248 -0.337320
C 0.351708 -0.424339 0.969326
C -1.088497 -0.833435 0.712053
C 2.764792 1.468286 -0.019033
C 3.568196 -0.659330 -1.020229
C -2.067155 0.103467 0.324943
C -1.990584 1.608782 0.141708
C -3.398592 -0.313855 0.047174
C 3.937407 1.897408 0.889431
C 3.907811 -2.108720 -0.610559
C -1.488728 -2.197865 0.807981
C -3.423653 2.010901 -0.279261
C -3.799278 -1.658391 0.137174
C -2.813389 -2.599916 0.526201
C 4.107526 3.431407 0.938318
C 4.894274 -2.777160 -1.592823
H 0.692546 0.218008 -1.102701
H 1.196690 -1.450906 -0.746378
H 0.391171 0.584884 1.422319
H 0.836760 -1.115767 1.681228
H 2.895181 1.923900 -1.034241
H 1.832186 1.899275 0.394373
H 3.202826 -0.648547 -2.079303
H 4.503122 -0.067733 -1.009417
H -1.718112 2.153519 1.064883
H -1.278599 1.929730 -0.640759
H 3.756081 1.494686 1.903797
H 4.877386 1.432311 0.532557
H 4.330663 -2.089646 0.411608
H 2.979251 -2.710843 -0.553637
H -0.749389 -2.947233 1.114420
H -5.161405 0.805236 -0.553530
H -4.826187 -1.972291 -0.077107
H -3.088137 -3.657066 0.613270
H 4.312841 3.844514 -0.067639
H 3.193399 3.923531 1.321655
H 4.945543 3.719657 1.598351
H 4.472259 -2.823121 -2.614857
H 5.845502 -2.214358 -1.648533
H 5.132729 -3.809757 -1.279817


