%chk=000152672.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000152672

0 1
 O   -1.418800       1.551600      0.2454000    
 N   -2.842300     -8.2400002E-02   1.045400    
 N    1.213100      0.6978000     -1.0600000E-02
 N  -0.6197000     -0.5995000      0.7637000    
 N    1.643200      -1.404800      0.5678000    
 C   -4.784000      0.6235000     -0.2939000    
 C   -4.036200      0.7168000       1.032000    
 C   -5.245100     -0.8010000     -0.6099000    
 C    2.557000      0.5272000     -0.2235000    
 C    2.800800     -0.7930000      0.1449000    
 C   0.7372000     -0.4812000      0.4558000    
 C   -6.038800     -0.8531000      -1.906100    
 C   -1.587400      0.4011000      0.6416000    
 C    3.549900       1.388100     -0.6925000    
 C    4.107100      -1.301400      4.6200000E-02
 C    4.844200      0.8654000     -0.7844000    
 C    5.119900     -0.4550000     -0.4221000    
 H   -4.141500      0.9851000      -1.106200    
 H   -5.655000       1.288600     -0.2531000    
 H   -4.671000      0.3688000       1.853900    
 H   -3.771800       1.760700       1.232300    
 H   -5.868600      -1.180100      0.2082000    
 H   -4.382200      -1.470500     -0.6985000    
 H   -2.912000      -1.046100       1.357400    
 H   0.6897000       1.547500     -0.1748000    
 H   -5.433500     -0.5086000      -2.750600    
 H   -6.358900      -1.879000      -2.113500    
 H   -6.932800     -0.2243000      -1.844500    
 H  -0.9081000      -1.510500       1.108600    
 H    3.333400       2.412600     -0.9730000    
 H    4.331700      -2.325900      0.3252000    
 H    5.650300       1.499900      -1.144700    
 H    6.135800     -0.8327000     -0.5045000    


%chk=000152672-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000152672

0 1
O -1.214061 1.533173 0.262196
N -2.789891 -0.136024 0.730133
N 1.374798 0.789164 0.040129
N -0.517478 -0.693052 0.514538
N 1.760273 -1.455713 0.339595
C -4.900953 0.564745 -0.466756
C -3.941170 0.784858 0.724982
C -5.602842 -0.813283 -0.467889
C 2.761611 0.617553 -0.111922
C 2.985451 -0.792771 0.078803
C 0.847484 -0.469509 0.304086
C -6.611133 -0.962964 -1.627860
C -1.502109 0.310743 0.488112
C 3.808238 1.518691 -0.385795
C 4.295107 -1.314584 -0.006983
C 5.110865 0.975920 -0.467382
C 5.349440 -0.416253 -0.281199
H -4.341291 0.702772 -1.412410
H -5.671313 1.361839 -0.432219
H -4.494032 0.673721 1.679350
H -3.518709 1.803260 0.692901
H -6.126963 -0.957581 0.499711
H -4.845385 -1.621102 -0.543752
H -2.967350 -1.128747 0.887075
H 0.780345 1.623651 -0.011369
H -6.108213 -0.850481 -2.606396
H -7.103480 -1.952222 -1.611791
H -7.400246 -0.190447 -1.565699
H -0.747978 -1.670500 0.703742
H 3.631048 2.589544 -0.529507
H 4.474712 -2.384303 0.136830
H 5.955860 1.640697 -0.678382
H 6.374964 -0.795194 -0.352872


