%chk=000096474.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000096474

0 1
 O    1.980700     -0.2004000      -1.546700    
 N   -2.679300     -0.2592000     -0.3374000    
 N   0.4518000      0.7840000       1.251000    
 N    2.322000      -1.179700      0.5072000    
 C   0.2284000     -6.2199999E-02  7.8500003E-02
 C  -0.5122000      0.7209000      -1.016100    
 C  -0.5863000      -1.307000      0.4611000    
 C   -1.975300      0.9839000     -0.6521000    
 C   -2.046400     -0.9710000      0.7730000    
 C    1.588300     -0.4709000     -0.4144000    
 C    1.228200       1.961500      0.8959000    
 H  -0.5131000      0.1185000      -1.938000    
 H  -2.2100000E-02   1.653600      -1.313600    
 H  -0.1581000      -1.823000       1.329800    
 H  -0.5545000      -2.034500     -0.3625000    
 H   -2.046300       1.685300      0.1877000    
 H   -2.472900       1.459400      -1.504600    
 H   -2.595300      -1.902300      0.9511000    
 H   -2.119800     -0.3792000       1.693300    
 H   -3.646100     -4.6000000E-02 -9.3300000E-02
 H   0.9321000      0.2606000       1.981400    
 H    1.498400       2.472600       1.828000    
 H   0.6469000       2.697800      0.3339000    
 H    2.173900       1.764000      0.3833000    
 H    3.253300      -1.511700      0.2789000    
 H    1.987900      -1.395400       1.440000    


%chk=000096474-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000096474

0 1
O 2.431540 0.339679 -1.066672
N -2.616415 -0.275574 -0.285310
N 0.415381 0.898532 1.246802
N 2.256025 -1.643529 0.112385
C 0.289264 -0.062915 0.107821
C -0.453259 0.585340 -1.091877
C -0.547538 -1.274342 0.615105
C -1.907089 0.947052 -0.736900
C -2.004172 -0.864127 0.925956
C 1.727772 -0.449453 -0.362195
C 1.037251 2.220964 1.017549
H -0.462558 -0.147666 -1.919687
H 0.106800 1.467001 -1.446220
H -0.100212 -1.701288 1.539026
H -0.562282 -2.057827 -0.166638
H -1.904784 1.749109 0.040208
H -2.417266 1.340951 -1.635321
H -2.583783 -1.759754 1.218547
H -1.990939 -0.156057 1.788058
H -3.626523 -0.120537 -0.171457
H 0.811344 0.427218 2.071381
H 1.101387 2.743884 1.988863
H 0.397083 2.831410 0.356612
H 2.049818 2.178224 0.561935
H 3.220599 -1.870018 -0.130958
H 1.696755 -2.326676 0.618385


