%chk=000127504.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000127504

0 1
 O   -6.513100     -0.2262000     -0.1075000    
 N    1.833300      0.1761000     -9.5600002E-02
 N   -1.041200      3.2800000E-02 -0.1144000    
 N   -3.161200      0.3895000      0.9569000    
 N   -4.519500      0.3212000      0.9484000    
 C    1.017600       1.385500      1.4600000E-02
 C    1.143600      -1.108300     -0.2158000    
 C  -0.3435000       1.072200      0.6421000    
 C  -0.2337000     -0.9317000     -0.8612000    
 C    3.223900      0.2454000     -8.5500002E-02
 C   -2.431800     -3.7300002E-02 -0.1226000    
 C    4.010800     -0.8141000      0.4246000    
 C    3.908100       1.378400     -0.5853000    
 C    5.403800     -0.7443000      0.4341000    
 C   -3.088100     -0.5504000      -1.248700    
 C    5.301300       1.447900     -0.5758000    
 C    6.049100      0.3867000     -6.6100001E-02
 C   -4.470100     -0.6202000      -1.257400    
 C    6.203800      -1.878300      0.9795000    
 C   -5.146500     -0.1743000     -0.1396000    
 C   -7.146500      0.2496000       1.075400    
 H   0.8783000       1.819700     -0.9832000    
 H    1.512200       2.135900      0.6435000    
 H    1.035200      -1.555200      0.7803000    
 H    1.718900      -1.805300     -0.8377000    
 H  -0.2146000      0.7352000       1.678000    
 H  -0.9348000       1.995700      0.6642000    
 H  -0.1182000     -0.5843000      -1.895500    
 H  -0.7184000      -1.915500     -0.8858000    
 H    3.529500      -1.700300      0.8340000    
 H    3.357800       2.218900      -1.002300    
 H   -2.545900     -0.8833000      -2.128600    
 H    5.803900       2.327400     -0.9676000    
 H    7.133700      0.4543000     -6.3299999E-02
 H   -4.999300      -1.010700      -2.119700    
 H    7.210900      -1.899600      0.5493000    
 H    6.291800      -1.787400       2.066700    
 H    5.734000      -2.838900      0.7422000    
 H   -6.849900     -0.3458000       1.945400    
 H   -8.227400      0.1420000      0.9451000    
 H   -6.929500       1.310900       1.236600    


%chk=000127504-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000127504

0 1
O -6.496352 0.064532 -0.539248
N 1.797303 0.034830 0.251320
N -1.071811 -0.346920 0.324426
N -3.154876 0.673824 0.742883
N -4.507938 0.785756 0.529294
C 0.883310 1.162082 0.536284
C 1.214902 -1.314635 0.257798
C -0.415594 0.657295 1.187808
C -0.201136 -1.324078 -0.354287
C 3.175008 0.255086 0.079868
C -2.432729 -0.285161 0.056448
C 4.118060 -0.819877 0.119130
C 3.675188 1.575581 -0.141218
C 5.501792 -0.602119 -0.067578
C -3.064690 -1.170819 -0.887287
C 5.056286 1.789334 -0.322182
C 5.973887 0.717144 -0.294513
C -4.437793 -1.051702 -1.085866
C 6.479962 -1.764191 0.010070
C -5.126033 -0.050247 -0.343143
C -7.182368 1.118029 0.237848
H 0.637575 1.727140 -0.389008
H 1.373265 1.868160 1.235982
H 1.179854 -1.750219 1.281223
H 1.839577 -1.983614 -0.359609
H -0.194903 0.227846 2.186408
H -1.126892 1.485232 1.336555
H -0.130001 -1.100333 -1.441289
H -0.613625 -2.348796 -0.249012
H 3.780824 -1.840673 0.330042
H 2.990553 2.426586 -0.201081
H -2.489394 -1.911834 -1.447252
H 5.416379 2.809600 -0.500410
H 7.044706 0.898118 -0.442723
H -4.985351 -1.686393 -1.787193
H 7.222506 -1.718141 -0.807429
H 7.044011 -1.746536 0.962747
H 5.964375 -2.738398 -0.053256
H -7.059142 0.945408 1.320873
H -8.237169 1.034170 -0.062708
H -6.773225 2.112832 -0.009015


