%chk=000145608.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000145608

0 1
 O   -5.402600      9.4300002E-02   1.994300    
 N    2.033700      -1.017900     -5.5000000E-03
 N    1.919400       1.201700     -3.2800000E-02
 N   -1.081800      -2.589500     -0.1363000    
 C    3.333200     -0.5837000      5.1300000E-02
 C    3.235200      0.8050000      3.2900002E-02
 C    1.227000      8.4899999E-02 -5.4099999E-02
 C  -0.1598000     -0.1329000     -0.1176000    
 C    4.548800      -1.265500      0.1153000    
 C    4.409600       1.575000      8.0399998E-02
 C   -2.573200      0.5910000     -0.2523000    
 C   -1.129400      0.8583000     -0.1803000    
 C    5.707600     -0.4834000      0.1622000    
 C    5.641400      0.9117000      0.1450000    
 C   -3.304200      0.4695000      0.9202000    
 C   -3.181300      0.4640000      -1.492700    
 C   -4.673900      0.2154000      0.8510000    
 C   -4.550900      0.2098000      -1.562000    
 C   -5.297300      8.5500002E-02 -0.3900000    
 C  -0.7015000      -1.493000     -0.1293000    
 H    1.750800      -1.989200     -9.2000002E-03
 H    4.597600      -2.348500      0.1284000    
 H    4.368800       2.659500      6.7699999E-02
 H  -0.8428000       1.907000     -0.1812000    
 H    6.677700     -0.9715000      0.2127000    
 H    6.559400       1.492500      0.1825000    
 H   -2.818300      0.5716000       1.887800    
 H   -2.611200      0.5593000      -2.413100    
 H   -5.036400      0.1088000      -2.528200    
 H   -6.364000     -0.1125000     -0.4504000    
 H   -4.812400      0.2121000       2.758400    


%chk=000145608-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000145608

0 1
O -5.680934 -1.174814 0.972663
N 2.190321 -1.019433 0.803764
N 1.806887 0.773258 -0.563599
N -0.844696 -2.429330 1.900109
C 3.456672 -0.548337 0.436371
C 3.193608 0.578416 -0.423024
C 1.235462 -0.197786 0.181296
C -0.212153 -0.399582 0.344386
C 4.763969 -0.970829 0.752435
C 4.271302 1.304217 -0.983586
C -2.560207 0.481682 -0.312179
C -1.101187 0.448144 -0.297128
C 5.822303 -0.231990 0.182385
C 5.579962 0.886645 -0.671162
C -3.402381 -0.432610 0.389643
C -3.171377 1.512104 -1.090342
C -4.803641 -0.307770 0.305343
C -4.575022 1.622483 -1.163506
C -5.402956 0.717268 -0.469255
C -0.593407 -1.499090 1.187092
H 1.984085 -1.812341 1.411438
H 4.959628 -1.827117 1.405825
H 4.079456 2.160423 -1.636837
H -0.601472 1.224705 -0.893240
H 6.855828 -0.522990 0.399442
H 6.434150 1.429190 -1.090262
H -2.970005 -1.234793 0.996278
H -2.535481 2.220020 -1.633297
H -5.029840 2.416988 -1.763879
H -6.494001 0.782344 -0.509895
H -5.185676 -1.859774 1.487821


