%chk=000156638.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000156638

0 1
 O   -2.395200     -0.5217000      -1.641000    
 N   -3.513200     -0.6504000      0.3920000    
 C   -5.973700     -0.7013000      0.1329000    
 C   -4.640100      -1.429800     -6.7800000E-02
 C   -6.243100     -0.4139000       1.611700    
 C   -5.982600      0.6047000     -0.6622000    
 C   -2.480900     -0.2622000     -0.4451000    
 C    2.896100       2.960800      0.2613000    
 C    4.264200       2.304500      4.8400000E-02
 C   -1.450300      0.5336000      0.2787000    
 C    1.784500       2.207200     -0.4150000    
 C  -0.3726000      0.9901000     -0.3750000    
 C    4.323400      0.9060000      0.5971000    
 C   0.7023000       1.745900      0.2302000    
 C    4.585200     -0.1753000     -0.1522000    
 C    4.638500      -1.515200      0.3863000    
 C    4.900200      -2.596600     -0.3623000    
 C    4.957200      -3.986300      0.1820000    
 H   -6.775800      -1.347300     -0.2450000    
 H   -4.510100      -1.694100      -1.123000    
 H   -4.633100      -2.363500      0.5055000    
 H   -7.242800      1.5300000E-02   1.740000    
 H   -6.199100      -1.335700       2.201100    
 H   -5.524000      0.2963000       2.032600    
 H   -5.246000       1.322800     -0.2865000    
 H   -5.770200      0.4191000      -1.720400    
 H   -6.967200       1.081200     -0.6011000    
 H   -3.467900     -0.4266000       1.381800    
 H    2.924200       3.976600     -0.1508000    
 H    2.701200       3.063900       1.336200    
 H    4.514200       2.314300      -1.020100    
 H    5.029500       2.906500      0.5529000    
 H   -1.586000      0.7197000       1.339400    
 H    1.887100       2.039100      -1.484800    
 H    4.148400      0.7970000       1.665400    
 H  -0.2591000      0.7882000      -1.438000    
 H   0.6133000       1.928600       1.299200    
 H    4.763800     -5.8100000E-02  -1.218200    
 H    4.454700      -1.632700       1.451300    
 H    5.085300      -2.489600      -1.428500    
 H    4.761500      -4.019400       1.258400    
 H    4.213400      -4.613200     -0.3192000    
 H    5.947200      -4.416400      1.9000000E-03


%chk=000156638-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000156638

0 1
O -2.681519 -0.352857 -1.549370
N -3.685016 -0.711081 0.529506
C -6.176408 -0.582700 0.053748
C -4.859783 -1.409585 -0.011014
C -6.584306 -0.263442 1.512183
C -6.076587 0.702925 -0.797589
C -2.660492 -0.222521 -0.281256
C 2.879241 2.894924 0.314447
C 4.253313 2.276758 -0.106466
C -1.555638 0.450299 0.456943
C 1.695611 2.175682 -0.282635
C -0.481135 0.976987 -0.209264
C 4.501607 0.906920 0.480937
C 0.644227 1.651811 0.419990
C 4.756838 -0.225473 -0.240228
C 5.004674 -1.543472 0.344440
C 5.259507 -2.672496 -0.383102
C 5.512968 -4.042328 0.197155
H -6.960514 -1.235291 -0.386324
H -4.618283 -1.645331 -1.062514
H -4.997491 -2.363453 0.537222
H -7.565659 0.244505 1.543564
H -6.659783 -1.181677 2.126072
H -5.850465 0.414801 1.989845
H -5.288679 1.371074 -0.403482
H -5.817079 0.468882 -1.845334
H -7.032919 1.258117 -0.787970
H -3.613869 -0.583131 1.539958
H 2.870875 3.953723 -0.022153
H 2.800966 2.909499 1.418964
H 4.312560 2.231450 -1.211642
H 5.048299 2.976561 0.227491
H -1.617660 0.515990 1.553223
H 1.694314 2.074604 -1.380208
H 4.470420 0.838787 1.580799
H -0.481552 0.875946 -1.304909
H 0.637568 1.738270 1.517324
H 4.780938 -0.161152 -1.339569
H 4.978959 -1.611577 1.443179
H 5.281369 -2.594143 -1.481670
H 5.478462 -4.028236 1.300907
H 4.761144 -4.773868 -0.160193
H 6.503380 -4.432600 -0.110905


