%chk=000005588.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005588

0 1
 N   -2.838100       1.489500      0.6301000    
 N  -0.5636000      -1.635700      -1.159600    
 C   -4.259800       1.290400      0.9098000    
 C   -2.723900       1.417500     -0.8263000    
 C   -4.938400       2.132200     -0.1607000    
 C   -3.930400       2.212900      -1.302900    
 C   -1.997100      0.5104000       1.302500    
 C  -0.5423000      0.7406000      0.9961000    
 C   0.3379000     -0.1221000      0.4409000    
 C    1.724600      0.3614000      0.2116000    
 C  -8.3300002E-02  -1.495300      8.4200002E-02
 C    2.030300      0.9607000     -0.9923000    
 C    2.660900      0.1951000       1.210500    
 C   4.0600002E-02  -2.493900       1.018300    
 C    4.297700       1.258200     -0.2133000    
 C    3.331800       1.414300      -1.207300    
 C    3.962300      0.6487000      0.9956000    
 C  -0.3693000      -3.766900      0.6384000    
 C    5.688800       1.744300     -0.4430000    
 C  -0.9522000      -2.886900      -1.493000    
 C  -0.8764000      -3.975700     -0.6395000    
 H   -4.533300       1.621700       1.916500    
 H   -4.555100      0.2395000      0.7952000    
 H   -2.800200      0.3852000      -1.191300    
 H   -1.795800       1.856800      -1.205800    
 H   -5.154300       3.139500      0.2148000    
 H   -5.883400       1.684700     -0.4845000    
 H   -4.338400       1.804200      -2.233000    
 H   -3.660300       3.259700      -1.485400    
 H   -2.311300     -0.5098000       1.054500    
 H   -2.120500      0.6175000       2.387500    
 H  -0.1859000       1.737900       1.260500    
 H    1.285300       1.087600      -1.772900    
 H    2.410900     -0.2772000       2.156400    
 H   0.4359000      -2.320200       2.013100    
 H    3.580300       1.889500      -2.152600    
 H    4.705500      0.5233000       1.778600    
 H  -0.2945000      -4.594900       1.336900    
 H    5.957600       1.686000      -1.503200    
 H    5.782600       2.783900     -0.1138000    
 H    6.415800       1.135600      0.1054000    
 H   -1.340600      -2.996400      -2.500100    
 H   -1.202400      -4.959500     -0.9570000    


%chk=000005588-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000005588

0 1
N -2.913687 1.407329 0.735853
N 0.248461 -2.023222 -1.447577
C -4.332625 1.287861 1.159412
C -2.973716 1.694957 -0.721971
C -5.046036 2.434519 0.391760
C -4.109343 2.742174 -0.828118
C -2.061963 0.257796 1.111586
C -0.603733 0.562147 0.841814
C 0.345257 -0.243234 0.267695
C 1.746960 0.260782 0.086082
C 0.016255 -1.650975 -0.144593
C 2.531768 -0.064124 -1.054599
C 2.334950 1.097586 1.076689
C -0.515039 -2.569480 0.803426
C 4.417809 1.297086 -0.224346
C 3.838234 0.447592 -1.201180
C 3.640883 1.606053 0.921683
C -0.818906 -3.888464 0.404157
C 5.813842 1.867769 -0.404855
C -0.055510 -3.299384 -1.819297
C -0.590064 -4.266333 -0.938359
H -4.420921 1.378657 2.257289
H -4.768988 0.299155 0.860332
H -3.232865 0.775134 -1.307974
H -1.999652 2.060877 -1.088926
H -5.148447 3.327463 1.031557
H -6.059344 2.131420 0.074979
H -4.636609 2.669709 -1.795282
H -3.695979 3.761635 -0.744643
H -2.377856 -0.683280 0.594990
H -2.207160 0.088275 2.200267
H -0.321299 1.590108 1.109073
H 2.094707 -0.705624 -1.825081
H 1.774459 1.324552 1.990985
H -0.657240 -2.250037 1.840371
H 4.417410 0.185159 -2.095685
H 4.069206 2.240265 1.708072
H -1.221725 -4.606353 1.126774
H 6.464463 1.176930 -0.970065
H 5.784163 2.822541 -0.966026
H 6.296546 2.074414 0.566844
H 0.142692 -3.547778 -2.868784
H -0.811357 -5.277360 -1.294428


