%chk=000063814.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000063814

0 1
 O   -2.675700      -1.688400       1.505300    
 N   0.3527000      -1.211800     -5.8100000E-02
 N    3.040200     -0.2440000     -6.0600001E-02
 N   -1.998000     -0.9651000     -0.6047000    
 N   -3.242500      0.6833000      -1.782800    
 C   0.7092000     -9.9999998E-03 -0.8218000    
 C    1.480300      -2.152200     -5.1700000E-02
 C    1.922200      0.6929000     -0.2073000    
 C    2.718100      -1.520600      0.5895000    
 C  -0.8390000      -1.844000     -0.6228000    
 C    4.344900      0.2463000      6.3699998E-02
 C   -2.834800     -0.9821000      0.5143000    
 C    4.595800       1.497900      0.6610000    
 C    5.447500     -0.4966000     -0.4036000    
 C   -2.248900     -0.1371000      -1.683600    
 C   -3.987300     -5.5000000E-02  0.4399000    
 C   -4.142300      0.7382000     -0.7050000    
 C    5.896300       1.986500      0.7861000    
 C    6.748000     -7.7999998E-03 -0.2786000    
 C    6.972400       1.233700      0.3162000    
 C   -4.901500      2.3800001E-02   1.495700    
 C   -5.231200       1.614200     -0.7758000    
 C   -5.980700      0.9021000       1.409100    
 C   -6.145800       1.696000      0.2756000    
 H  -9.1300003E-02  0.7348000     -0.7996000    
 H   0.9194000     -0.2569000      -1.871000    
 H    1.721400      -2.476300      -1.073100    
 H    1.217900      -3.049000      0.5225000    
 H    2.200500       1.527900     -0.8625000    
 H    1.652400       1.106400      0.7731000    
 H    2.542300      -1.346200       1.658900    
 H    3.545300      -2.235400      0.5103000    
 H  -0.6581000      -2.159200      -1.659200    
 H   -1.083000      -2.745400     -4.7699999E-02
 H    3.784000       2.107100       1.050400    
 H    5.296300      -1.461500     -0.8824000    
 H   -1.528000     -0.2271000      -2.510700    
 H    6.071700       2.951800       1.251800    
 H    7.585800     -0.5926000     -0.6468000    
 H    7.984900       1.614200      0.4136000    
 H   -4.790000     -0.5867000       2.387300    
 H   -5.374000       2.240300      -1.653300    
 H   -6.693800      0.9676000       2.225800    
 H   -6.987300       2.379600      0.2099000    


%chk=000063814-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000063814

0 1
O -1.966349 -1.905418 0.923751
N 0.365314 -1.115945 -1.101646
N 2.938840 -0.214680 -0.222807
N -2.081979 -0.844653 -1.165367
N -3.694115 0.876966 -1.688800
C 1.169562 -0.233227 -1.960479
C 1.172005 -1.972337 -0.211893
C 2.124994 0.633281 -1.113498
C 2.107768 -1.094826 0.636422
C -0.877956 -1.635386 -1.618314
C 4.192903 0.257238 0.246212
C -2.527959 -1.045316 0.178071
C 4.647568 1.583629 -0.025029
C 5.068023 -0.605188 0.976615
C -2.683432 0.088360 -2.007225
C -3.660934 -0.183631 0.565493
C -4.203056 0.752758 -0.377821
C 5.922639 2.014358 0.401143
C 6.332206 -0.159531 1.407639
C 6.778400 1.153342 1.122531
C -4.211362 -0.278201 1.870743
C -5.290466 1.582136 0.013166
C -5.285979 0.546264 2.241131
C -5.824153 1.478376 1.307948
H 0.499871 0.438712 -2.529216
H 1.778282 -0.818629 -2.692726
H 1.788013 -2.702040 -0.790690
H 0.484617 -2.519941 0.455106
H 2.788941 1.183475 -1.801775
H 1.524652 1.373649 -0.534374
H 1.483844 -0.477887 1.322408
H 2.753223 -1.739057 1.252030
H -0.918215 -1.627478 -2.727111
H -1.039452 -2.665617 -1.259194
H 4.001507 2.296292 -0.546024
H 4.774665 -1.639833 1.181973
H -2.264863 0.149914 -3.018745
H 6.239570 3.039994 0.177610
H 6.980828 -0.850384 1.959120
H 7.764351 1.493480 1.455614
H -3.774427 -1.002930 2.565589
H -5.687822 2.289041 -0.721273
H -5.711644 0.475166 3.247568
H -6.662124 2.119307 1.603424


