%chk=000082394.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000082394

0 1
 O    4.327500      -1.236100      0.5937000    
 N    5.383300      0.8022000      0.2288000    
 N    8.680200     -0.5779000     -0.8186000    
 C   -2.061400      0.5169000      2.8100001E-02
 C   -3.291300     -0.3827000      0.1656000    
 C  -0.7687000     -0.2761000      0.2331000    
 C   -4.615700      0.3598000     -3.8600001E-02
 C   0.4628000      0.6151000      6.3600004E-02
 C   -5.882700     -0.4962000      6.4999998E-02
 C    1.754200     -0.1689000      0.3003000    
 C   -7.168200      0.2897000     -0.2040000    
 C    2.981900      0.7286000      0.1640000    
 C   -8.432400     -0.5663000     -9.2799999E-02
 C    4.282100     -3.2000002E-02  0.3566000    
 C   -9.708000      0.1907000     -0.4300000    
 C    6.746200      0.3406000      0.3626000    
 C    7.310200     -0.1076000     -0.9776000    
 H   -2.117100       1.329400      0.7625000    
 H   -2.056800      0.9789000     -0.9664000    
 H   -3.226600      -1.199200     -0.5642000    
 H   -3.293900     -0.8466000       1.159700    
 H  -0.7243000      -1.102100     -0.4872000    
 H  -0.7674000     -0.7207000       1.235700    
 H   -4.680400       1.172700      0.6959000    
 H   -4.597400      0.8375000      -1.026600    
 H   0.4716000       1.043500     -0.9460000    
 H   0.4084000       1.452600      0.7699000    
 H   -5.812100      -1.326100     -0.6487000    
 H   -5.931700     -0.9422000       1.065900    
 H    1.818400     -0.9967000     -0.4169000    
 H    1.737600     -0.6186000       1.300900    
 H   -7.116900      0.7267000      -1.209000    
 H   -7.236900       1.126400      0.5020000    
 H    3.000400       1.188300     -0.8315000    
 H    2.941400       1.534000      0.9071000    
 H   -8.347800      -1.428200     -0.7654000    
 H   -8.512800     -0.9646000      0.9257000    
 H   -9.845900       1.041700      0.2445000    
 H   -10.57760     -0.4666000     -0.3327000    
 H   -9.678100      0.5677000      -1.457100    
 H    5.237300       1.786000      2.1800000E-02
 H    7.328200       1.173800      0.7716000    
 H    6.771800     -0.4811000       1.087800    
 H    7.286200      0.7205000      -1.695200    
 H    6.699400     -0.9154000      -1.395800    
 H    9.061100     -0.8247000      -1.731100    
 H    9.263500      0.1774000     -0.4605000    


%chk=000082394-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000082394

0 1
O 4.548852 -0.407996 1.503231
N 5.446334 1.043441 -0.076559
N 8.414502 -1.158701 -0.907564
C -2.056556 0.686383 0.172292
C -3.238436 -0.296653 0.012743
C -0.677147 -0.010044 0.185396
C -4.616489 0.402373 -0.008688
C 0.502557 0.975768 0.344754
C -5.800183 -0.579062 -0.165815
C 1.878204 0.274724 0.356941
C -7.177549 0.121329 -0.190963
C 3.053004 1.270548 0.505268
C -8.362009 -0.860494 -0.344248
C 4.396580 0.555598 0.689308
C -9.733682 -0.151691 -0.367798
C 6.802201 0.476578 -0.003602
C 7.052117 -0.618858 -1.069968
H -2.184769 1.262733 1.112595
H -2.084613 1.428684 -0.653081
H -3.107890 -0.877409 -0.924557
H -3.214500 -1.035091 0.841314
H -0.548982 -0.586671 -0.754646
H -0.646812 -0.751146 1.010876
H -4.746202 0.984760 0.927723
H -4.640277 1.139879 -0.838375
H 0.468715 1.720963 -0.478162
H 0.375466 1.547781 1.288086
H -5.669675 -1.163506 -1.100901
H -5.778346 -1.314695 0.665477
H 2.005934 -0.311007 -0.575991
H 1.933133 -0.448010 1.192552
H -7.201770 0.855137 -1.023927
H -7.308547 0.707743 0.742829
H 3.082280 1.964233 -0.358791
H 2.880934 1.888774 1.409672
H -8.230747 -1.445952 -1.277331
H -8.336490 -1.593134 0.488187
H -9.902884 0.414450 0.567810
H -10.563164 -0.874105 -0.480382
H -9.793799 0.565967 -1.207975
H 5.263046 1.800493 -0.736445
H 7.555418 1.275837 -0.120438
H 6.913833 0.034726 1.002988
H 6.975908 -0.170797 -2.079311
H 6.239478 -1.376313 -0.981845
H 8.547778 -1.700194 -0.047961
H 8.786844 -1.643272 -1.728215


