%chk=000025158.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000025158

0 1
 O   -4.115100      0.5049000       1.007000    
 O    4.109400      0.5164000      -1.007500    
 N   -4.289700      -2.194800      0.5672000    
 N    4.304200      -2.181800     -0.5672000    
 N   -3.250900      0.7919000      -1.129400    
 N    3.240300      0.8014000       1.128000    
 C   -4.197400      -3.586000      0.1436000    
 C   -3.001200      -2.864100      0.6916000    
 C    4.222300      -3.573600     -0.1436000    
 C    3.020800      -2.860900     -0.6921000    
 C   -4.298900      -1.303500     -0.5840000    
 C    4.306000      -1.290300      0.5839000    
 C   -3.900500      8.5199997E-02 -0.1279000    
 C    3.897400      9.5200002E-02  0.1275000    
 C   -2.740200       2.132400     -0.9504000    
 C    2.721300       2.133700      0.9492000    
 C   -1.322000       2.132100     -0.4575000    
 C    1.312800       2.132400      0.4589000    
 C  -0.2664000       2.133300      -1.369400    
 C    1.051000       2.133400     -0.9112000    
 C   -1.060200       2.131300      0.9125000    
 C   0.2572000       2.131400       1.370800    
 H   -4.227600      -3.813400     -0.9140000    
 H   -4.692200      -4.303600      0.7849000    
 H   -2.691000      -3.094500       1.702500    
 H   -2.200100      -2.597700      1.4400000E-02
 H    4.253800      -3.800600      0.9141000    
 H    4.722800      -4.287400     -0.7846000    
 H    2.712900      -3.093900      -1.703100    
 H    2.217500      -2.600400     -1.5400000E-02
 H   -3.657600      -1.628300      -1.414900    
 H   -5.320200      -1.229800     -0.9769000    
 H    5.326300      -1.208800      0.9776000    
 H    3.666400      -1.619200       1.414300    
 H   -3.108700      0.3566000      -2.036000    
 H    3.100800      0.3650000       2.034500    
 H   -2.811700       2.644100      -1.916900    
 H   -3.386500       2.678200     -0.2529000    
 H    2.793600       2.646000       1.915500    
 H    3.367600       2.683800      0.2548000    
 H  -0.4576000       2.132700      -2.439200    
 H    1.862800       2.137000      -1.633400    
 H   -1.872300       2.133000       1.634300    
 H   0.4479000       2.129400       2.440800    


%chk=000025158-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000025158

0 1
O -5.233719 1.946635 0.720331
O 5.232716 1.947705 -0.778181
N -5.090640 -1.713645 1.088691
N 5.097626 -1.721629 -1.050302
N -3.699974 0.311257 0.035377
N 3.700731 0.327495 -0.054163
C -5.885111 -2.877174 1.621831
C -6.019478 -2.464848 0.163367
C 5.894417 -2.897748 -1.551008
C 6.022074 -2.449725 -0.102512
C -5.529208 -0.356813 1.515233
C 5.536996 -0.375675 -1.508859
C -4.817694 0.746833 0.709284
C 4.819516 0.747597 -0.735940
C -2.860019 1.202683 -0.773210
C 2.856532 1.237985 0.728535
C -1.386318 1.166295 -0.380285
C 1.383264 1.183528 0.336509
C -0.377871 1.156006 -1.375776
C 0.988823 1.168276 -1.024204
C -0.991884 1.177182 0.980360
C 0.374905 1.181833 1.331986
H -6.732559 -2.658879 2.285598
H -5.301413 -3.762142 1.891830
H -5.529988 -3.052179 -0.619151
H -6.949934 -1.967421 -0.140955
H 6.745211 -2.695640 -2.215656
H 5.312176 -3.789276 -1.801885
H 5.528842 -3.017608 0.691947
H 6.951367 -1.945419 0.193998
H -6.624184 -0.182285 1.427419
H -5.257063 -0.222329 2.579580
H 5.271214 -0.268841 -2.577933
H 6.631213 -0.197379 -1.419039
H -3.489996 -0.691839 0.124781
H 3.493234 -0.678085 -0.118111
H -2.962652 0.954604 -1.848451
H -3.279067 2.218236 -0.631728
H 2.959693 1.020846 1.810385
H 3.271257 2.250862 0.558261
H -0.664978 1.141640 -2.434974
H 1.757402 1.161822 -1.805606
H -1.760433 1.177788 1.761777
H 0.662074 1.187668 2.391245


