%chk=000108316.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000108316

0 1
 O    1.158300      0.3026000       1.850400    
 N    2.485900       1.285700      0.1349000    
 N   -1.037500      0.6261000      0.4268000    
 N   -2.117400       1.173600     -0.1997000    
 C    1.784800      -1.033200     -0.1333000    
 C    1.376900      0.3754000      0.4436000    
 C    3.291500     -0.8638000     -0.1761000    
 C    3.617300      0.4936000     -3.9799999E-02
 C    1.290500      -1.271500      -1.573300    
 C    1.355900      -2.204400      0.7599000    
 C   9.5100001E-02  0.8965000     -0.1348000    
 C    4.270900      -1.831000     -0.3605000    
 C    2.556500       2.658700      0.5803000    
 C    4.945900      0.8934000     -9.4899997E-02
 C    5.604400      -1.426700     -0.4058000    
 C    5.939700     -7.2999999E-02 -0.2754000    
 C   -3.352400      0.4970000     -0.1281000    
 C   -2.069500       2.590500     -0.5470000    
 C   -4.416800      0.9002000     -0.9348000    
 C   -3.510300     -0.5762000      0.7492000    
 C   -5.638600      0.2308000     -0.8640000    
 C   -4.732100      -1.245500      0.8198000    
 C   -5.796100     -0.8419000      1.3100000E-02
 C   -7.102600      -1.557000      8.9500003E-02
 H    1.569200     -0.4500000      -2.243900    
 H    1.720500      -2.188400      -1.994200    
 H   0.2008000      -1.381300      -1.606400    
 H   0.2674000      -2.221800      0.8837000    
 H    1.652700      -3.167000      0.3274000    
 H    1.811900      -2.150600       1.755000    
 H   0.1706000       1.454000      -1.087500    
 H    4.014100      -2.878400     -0.4768000    
 H    3.176700       3.258200     -9.4200000E-02
 H    2.973600       2.720600       1.591100    
 H    1.563100       3.118200      0.5967000    
 H    5.228600       1.936700      2.9000000E-03
 H    1.082400       1.211600       2.185600    
 H    6.388900      -2.164400     -0.5494000    
 H    6.982900      0.2286000     -0.3167000    
 H   -2.101800       2.716600      -1.634400    
 H   -1.167600       3.090200     -0.1756000    
 H   -2.912800       3.133600     -0.1039000    
 H   -4.322600       1.723300      -1.637600    
 H   -2.706500     -0.9153000       1.397100    
 H   -6.459900      0.5538000      -1.498200    
 H   -4.844000      -2.078100       1.509400    
 H   -6.961600      -2.610700      0.3532000    
 H   -7.743300      -1.089400      0.8437000    
 H   -7.622000      -1.535200     -0.8745000    


%chk=000108316-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000108316

0 1
O 0.799996 -0.630936 1.286263
N 2.305578 1.041660 0.430898
N -1.077382 0.377173 -0.230103
N -2.211880 0.880031 -0.814289
C 2.157277 -1.023285 -0.809439
C 1.301172 0.015389 0.065805
C 3.563835 -0.789940 -0.251540
C 3.589945 0.456454 0.431924
C 2.159769 -0.624318 -2.315611
C 1.637412 -2.463994 -0.646220
C 0.129389 0.644886 -0.678860
C 4.733580 -1.547660 -0.385457
C 1.952612 2.111266 1.367517
C 4.783523 0.959027 0.991870
C 5.947564 -1.056966 0.171432
C 5.963408 0.184424 0.847905
C -3.464196 0.480558 -0.247839
C -2.116961 1.803898 -1.952937
C -4.667768 0.588970 -0.992289
C -3.526106 -0.038639 1.073807
C -5.898758 0.205741 -0.415976
C -4.761237 -0.424568 1.626480
C -5.976927 -0.304476 0.902168
C -7.305384 -0.694963 1.525750
H 2.491415 0.420552 -2.457369
H 2.862388 -1.276384 -2.864506
H 1.156922 -0.748478 -2.765981
H 0.593649 -2.548976 -1.002747
H 2.255802 -3.159535 -1.243850
H 1.667467 -2.772509 0.409852
H 0.367634 1.283411 -1.538793
H 4.718544 -2.513175 -0.905607
H 2.584636 3.000084 1.186376
H 2.068550 1.798363 2.424955
H 0.900384 2.400867 1.207940
H 4.806523 1.910415 1.533387
H -0.198633 -0.604428 1.213678
H 6.868644 -1.642762 0.080624
H 6.901313 0.554346 1.278856
H -1.795773 1.288450 -2.880247
H -1.382159 2.601161 -1.725863
H -3.090187 2.283697 -2.123523
H -4.657580 0.934613 -2.030944
H -2.606341 -0.132698 1.655126
H -6.813311 0.294549 -1.014892
H -4.782118 -0.820524 2.649407
H -7.219659 -1.629360 2.109502
H -7.670679 0.088726 2.217902
H -8.084291 -0.845438 0.757962


