%chk=000063646.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000063646

0 1
 O    1.422600       1.722900       1.506800    
 N   0.6712000     -0.3836000      0.8139000    
 N   -2.416100       1.767200      -1.049300    
 N    2.103500      -1.785900     -0.4651000    
 C  -0.6309000     -0.2024000       1.454100    
 C   -1.578400      0.4262000      0.4911000    
 C   -2.917500      3.0999999E-02  0.2590000    
 C   -3.425100      0.8916000     -0.7167000    
 C   -1.291300       1.490500     -0.3196000    
 C   0.9722000      -1.556900      0.1250000    
 C    1.603100      0.6604000      0.9185000    
 C    2.899400      0.4171000      0.2505000    
 C    3.094300     -0.7969000     -0.4129000    
 C   -3.756400     -0.9744000      0.7793000    
 C   -4.735000      0.7967000      -1.200000    
 C  -8.4500000E-02  -2.633900      5.7700001E-02
 C   -5.069000      -1.081300      0.3054000    
 C    3.909600       1.385100      0.2840000    
 C   -5.548700     -0.2083000     -0.6691000    
 C    4.320200      -1.032000      -1.045900    
 C    5.125500       1.137000     -0.3513000    
 C    5.331300     -7.0200004E-02  -1.015500    
 H  -0.5206000      0.4604000       2.321200    
 H   -1.010700      -1.151700       1.838100    
 H  -0.4036000       2.090400     -0.4585000    
 H   -2.495400       2.507200      -1.732900    
 H   -3.400200      -1.664100       1.539100    
 H   -5.109300       1.475800      -1.958700    
 H   -1.009200      -2.246200     -0.3734000    
 H  -0.2783000      -3.034000       1.056500    
 H   0.2616000      -3.458500     -0.5738000    
 H    3.768700       2.332400      0.7967000    
 H   -5.720600      -1.854900      0.7030000    
 H   -6.571500     -0.3094000      -1.022800    
 H    4.495400      -1.969400      -1.568500    
 H    5.912700       1.885000     -0.3283000    
 H    6.278700     -0.2634000      -1.510200    


%chk=000063646-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000063646

0 1
O 1.396597 1.876740 1.329686
N 0.703393 -0.318241 0.857138
N -2.673197 2.105213 -0.781119
N 2.090990 -1.876556 -0.347731
C -0.600156 0.016006 1.528759
C -1.630802 0.625413 0.608636
C -2.910321 0.059501 0.210610
C -3.542443 1.013403 -0.666423
C -1.529776 1.874624 -0.009204
C 0.947970 -1.568418 0.255600
C 1.668691 0.740529 0.826560
C 2.943230 0.392906 0.181476
C 3.108808 -0.908993 -0.389752
C -3.602550 -1.144387 0.517670
C -4.812629 0.792287 -1.242125
C -0.138646 -2.616488 0.292936
C -4.869894 -1.370359 -0.052181
C 3.995701 1.344166 0.115927
C -5.468468 -0.414383 -0.925975
C 4.340344 -1.236125 -1.024621
C 5.205893 1.006060 -0.509924
C 5.374607 -0.288636 -1.081802
H -0.333976 0.727943 2.328473
H -0.988769 -0.901708 1.996408
H -0.721002 2.599316 0.060620
H -2.846126 2.940111 -1.336633
H -3.168350 -1.885922 1.198812
H -5.278145 1.528042 -1.907504
H -1.081527 -2.248049 -0.147311
H -0.352830 -2.953083 1.325164
H 0.217093 -3.480410 -0.285890
H 3.832110 2.330157 0.563062
H -5.411584 -2.294130 0.179257
H -6.455851 -0.620496 -1.353462
H 4.446643 -2.235667 -1.456690
H 6.021682 1.734927 -0.560558
H 6.320990 -0.545793 -1.570489


