%chk=000046805.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000046805

1 1
 N   0.3087000     -0.3338000      3.9600000E-02
 N   -3.425200      0.1171000     -0.1134000    
 C    2.196700       1.031400      0.9857000    
 C    2.653700      -1.238500      0.1141000    
 C    2.994100     -0.2498000       1.229000    
 C   0.6891000      0.7012000       1.009700    
 C    1.140100      -1.539400      0.1496000    
 C    2.657100       1.676200     -0.3352000    
 C    3.129400     -0.6695000      -1.235800    
 C    2.614100      0.7385000      -1.544300    
 C   -1.110800     -0.6605000      0.1465000    
 C   -1.999900      0.5227000     -0.1884000    
 C   -3.773300     -0.3952000       1.291100    
 C   -4.346900       1.303000     -0.4305000    
 C   -3.727100      -1.003500      -1.117900    
 H    2.403500       1.738200       1.799200    
 H    3.191200      -2.177700      0.2955000    
 H    4.070400     -3.9299998E-02   1.245000    
 H    2.738600     -0.6766000       2.206800    
 H   0.4149000      0.3887000       2.026500    
 H   0.1635000       1.639400      0.8054000    
 H   0.9042000      -2.224800     -0.6740000    
 H   0.9120000      -2.070600       1.083900    
 H    3.692300       2.018800     -0.2060000    
 H    2.061800       2.572500     -0.5462000    
 H    2.850600      -1.347700      -2.050900    
 H    4.227000     -0.6364000      -1.225600    
 H    1.590100      0.6804000      -1.929500    
 H    3.205200       1.171100      -2.360800    
 H   -1.300700      -1.047900       1.152700    
 H   -1.296100      -1.476500     -0.5581000    
 H   -1.803400      0.8948000      -1.201700    
 H   -1.876700       1.353400      0.5138000    
 H   -4.861800     -0.4938000       1.355300    
 H   -3.418800      0.3351000       2.024400    
 H   -3.324100      -1.377700       1.454000    
 H   -5.386600      0.9684000     -0.3693000    
 H   -4.153500       2.090200      0.3040000    
 H   -4.114500       1.652700      -1.440600    
 H   -4.813600      -1.127300      -1.170500    
 H   -3.286200      -1.943100     -0.7766000    
 H   -3.335700     -0.7074000      -2.095500    


%chk=000046805-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000046805

1 1
N 0.329167 -0.528650 0.271157
N -3.441814 0.103445 -0.252238
C 2.239702 0.785840 1.288315
C 2.728694 -1.162611 -0.209003
C 3.144027 -0.457981 1.105124
C 0.769606 0.313309 1.417811
C 1.262132 -1.641978 -0.073150
C 2.493987 1.788272 0.128990
C 2.990073 -0.217114 -1.415075
C 2.307063 1.169544 -1.281122
C -1.083198 -0.927070 0.346252
C -1.888632 0.178134 -0.379466
C -3.875919 0.394344 1.182400
C -4.046365 1.159605 -1.177274
C -3.945917 -1.274262 -0.672932
H 2.490244 1.289683 2.243135
H 3.340788 -2.075747 -0.348747
H 4.205723 -0.152198 1.056005
H 3.040989 -1.147440 1.966921
H 0.664754 -0.252523 2.379835
H 0.102804 1.197276 1.488249
H 0.922072 -2.089290 -1.027445
H 1.228963 -2.445232 0.705709
H 3.535672 2.153995 0.231183
H 1.841173 2.677512 0.239901
H 2.670610 -0.703288 -2.358052
H 4.087237 -0.076570 -1.493082
H 1.228038 1.059445 -1.488054
H 2.719198 1.858882 -2.043410
H -1.430807 -1.067685 1.399577
H -1.213416 -1.893586 -0.173075
H -1.661893 0.143710 -1.458454
H -1.599122 1.169860 0.007516
H -4.974861 0.355011 1.240419
H -3.522797 1.397293 1.466502
H -3.440661 -0.357341 1.855611
H -5.141813 1.157675 -1.064876
H -3.644334 2.147403 -0.905609
H -3.776775 0.923251 -2.217800
H -5.046909 -1.263272 -0.687085
H -3.592886 -2.028523 0.044442
H -3.561199 -1.504325 -1.678102


