%chk=000006751.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000006751

0 1
 O    5.797000      0.3846000      0.9688000    
 O    5.429800     -0.1645000      -1.712800    
 N    3.736300      0.1575000     -0.1247000    
 N   -1.799100      0.3547000      0.5961000    
 N   -2.381200      0.1373000     -0.4925000    
 C    2.299600      0.1927000      6.4800002E-02
 C    1.645500     -0.9645000      0.3918000    
 C    1.674900       1.401500     -9.6699998E-02
 C   0.2633000     -0.9102000      0.5711000    
 C  -0.4132000      0.2999000      0.4166000    
 C   0.2926000       1.455700      8.2800001E-02
 C    2.344200      -2.274400      0.5639000    
 C    4.564200      0.3876000      0.9942000    
 C    4.233800     -0.1062000      -1.418100    
 C   -3.773800      0.1921000     -0.3115000    
 C   -4.490900     -0.9537000      2.2700001E-02
 C    3.840900      0.7035000       2.283000    
 C    3.186800     -0.3768000      -2.473800    
 C   -5.872700     -0.8803000      0.1992000    
 C   -4.428700       1.410700     -0.4707000    
 C   -3.806400      -2.269600      0.1989000    
 C   -6.532400      0.3385000      4.0800001E-02
 C   -5.810400       1.483900     -0.2941000    
 H    2.221100       2.302800     -0.3566000    
 H  -0.2941000      -1.806900      0.8326000    
 H  -0.2253000       2.403600     -3.9299998E-02
 H    2.890500      -2.557500     -0.3402000    
 H    3.042700      -2.233500       1.405300    
 H    1.636500      -3.084500      0.7728000    
 H    3.275800       1.634600       2.197600    
 H    3.194500     -0.1179000       2.597200    
 H    4.585200      0.8463000       3.074200    
 H    2.534600      0.4884000      -2.614300    
 H    3.694000     -0.5529000      -3.428900    
 H    2.603800      -1.271100      -2.249200    
 H   -6.450100      -1.762900      0.4617000    
 H   -3.875000       2.308600     -0.7323000    
 H   -3.178900      -2.499600     -0.6687000    
 H   -3.185400      -2.257700       1.100500    
 H   -4.524700      -3.090600      0.3004000    
 H   -7.608100      0.3958000      0.1785000    
 H   -6.324200       2.432800     -0.4174000    


%chk=000006751-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000006751

0 1
O 5.758117 -0.365404 1.287264
O 5.844470 0.215852 -1.422739
N 3.892320 0.123865 -0.086594
N -1.769894 0.814651 -0.136136
N -2.521257 -0.231064 0.103888
C 2.445501 0.254251 -0.092429
C 1.624420 -0.896192 0.129044
C 1.867492 1.524406 -0.322049
C 0.225234 -0.727477 0.119561
C -0.361726 0.549561 -0.107274
C 0.469017 1.677402 -0.333475
C 2.243283 -2.261420 0.362832
C 4.582863 0.051505 1.185935
C 4.602652 0.079484 -1.347653
C -3.929817 0.016273 0.072485
C -4.764168 -1.113613 0.355152
C 3.777746 0.526728 2.391944
C 3.730776 -0.121224 -2.584299
C -6.167333 -0.921436 0.334640
C -4.501655 1.288869 -0.219299
C -4.174249 -2.475290 0.667876
C -6.734260 0.339737 0.044761
C -5.896732 1.449579 -0.233446
H 2.525251 2.385101 -0.486108
H -0.441060 -1.580793 0.282032
H -0.002744 2.649317 -0.507777
H 2.989595 -2.511552 -0.413293
H 2.777553 -2.310694 1.331004
H 1.470829 -3.047864 0.367353
H 3.414849 1.559593 2.248426
H 2.891040 -0.106112 2.573574
H 4.435956 0.484348 3.272106
H 3.163141 0.795530 -2.824848
H 4.398398 -0.352048 -3.427701
H 2.996546 -0.934381 -2.452253
H -6.822208 -1.773727 0.549194
H -3.825997 2.123579 -0.429464
H -3.567489 -2.850994 -0.175136
H -3.500128 -2.428482 1.541017
H -4.972451 -3.207485 0.878396
H -7.823572 0.458442 0.035509
H -6.337308 2.426977 -0.458319


