%chk=000013982.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000013982

0 1
 O    2.401300      0.7094000       1.470000    
 O   -2.045000      0.6770000       2.070900    
 O  -0.1691000      -1.888200      -1.375600    
 N    1.125200     -0.7648000      0.1809000    
 N   -1.260000     -0.6276000      0.2769000    
 C   2.4999999E-03   2.238200      5.6699999E-02
 C   9.0400003E-02   1.200400       1.174100    
 C   -1.192800       3.174600      0.2796000    
 C    1.309600       3.035600     -4.6200000E-02
 C    2.296900      -1.505200     -0.2207000    
 C   -1.270800       4.254900     -0.7967000    
 C    1.227400       4.116500      -1.121900    
 C    3.233700     -0.6268000      -1.054100    
 C    3.014100      -2.079500       1.003300    
 C   3.3100002E-02   5.039700     -0.9020000    
 C    1.322000      0.3568000      0.9943000    
 C    4.506100      -1.374500      -1.444200    
 C    4.287700      -2.824200      0.6113000    
 C    5.218400      -1.948000     -0.2226000    
 C   -1.185600      0.4016000       1.232400    
 C  -0.1157000      -1.165500     -0.3746000    
 C   -2.560000      -1.192700     -1.6899999E-02
 C   -3.695600     -0.4003000      0.1003000    
 C   -2.658100      -2.521000     -0.4135000    
 C   -4.948400     -0.9445000     -0.1829000    
 C   -3.910900      -3.065100     -0.6970000    
 C   -5.056000      -2.276800     -0.5816000    
 H  -0.1494000       1.729300     -0.9060000    
 H   0.1963000       1.699100       2.147900    
 H    2.003700      -2.359400     -0.8439000    
 H   -1.117200       3.652100       1.264800    
 H   -2.137400       2.621900      0.2628000    
 H    2.151800       2.391000     -0.3149000    
 H    1.546500       3.501500      0.9187000    
 H   -2.095700       4.940400     -0.5717000    
 H   -1.496600       3.790300      -1.764600    
 H    1.146400       3.644200      -2.108800    
 H    2.151800       4.704900      -1.124800    
 H    3.535100      0.2847000     -0.5294000    
 H    2.716600     -0.2947000      -1.963300    
 H    2.342900      -2.769500       1.530800    
 H    3.299100      -1.322700       1.737900    
 H  -3.4299999E-02   5.758600      -1.726400    
 H   0.1849000       5.619700      1.6600000E-02
 H    5.181200     -0.6996000      -1.982500    
 H    4.253200      -2.188800      -2.134500    
 H    4.023100      -3.722000      3.8899999E-02
 H    4.809800      -3.164900       1.512600    
 H    6.087200      -2.533700     -0.5433000    
 H    5.597400      -1.126200      0.3973000    
 H   -3.658100      0.6539000      0.3531000    
 H   -1.809200      -3.195100     -0.4528000    
 H   -5.839300     -0.3281000     -0.1047000    
 H   -3.997200      -4.106500     -0.9929000    
 H   -6.031400      -2.700700     -0.8015000    


%chk=000013982-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000013982

0 1
O 2.326617 0.644056 1.692767
O -2.273147 0.771079 1.918628
O -0.195343 -2.029537 -1.207067
N 1.140615 -0.642906 0.134156
N -1.286999 -0.608810 0.299206
C -0.022227 2.384353 0.084431
C 0.018002 1.280216 1.227323
C -1.230316 3.337109 0.284857
C 1.300385 3.193590 0.044464
C 2.368659 -1.388846 -0.331324
C -1.271930 4.434391 -0.806245
C 1.255617 4.294811 -1.043043
C 3.435806 -0.446239 -0.934180
C 2.946782 -2.285635 0.791874
C 0.046988 5.238380 -0.850542
C 1.253183 0.404200 1.077598
C 4.623853 -1.283021 -1.472098
C 4.144460 -3.104514 0.250533
C 5.224534 -2.184005 -0.365813
C -1.270646 0.477370 1.222032
C -0.115268 -1.130060 -0.332586
C -2.554202 -1.282051 0.027137
C -3.600900 -0.561504 -0.585834
C -2.726741 -2.632951 0.396227
C -4.834860 -1.201738 -0.831243
C -3.959992 -3.270062 0.141547
C -5.016509 -2.556583 -0.470438
H -0.141411 1.861264 -0.889637
H 0.090580 1.800544 2.196978
H 1.993938 -2.044195 -1.138837
H -1.145574 3.814171 1.282939
H -2.181485 2.774043 0.290757
H 2.163526 2.527931 -0.137384
H 1.466954 3.658682 1.037519
H -2.130032 5.107966 -0.618669
H -1.445995 3.963150 -1.796188
H 1.190428 3.818945 -2.043877
H 2.201787 4.869064 -1.024595
H 3.801037 0.253763 -0.161709
H 2.984974 0.150685 -1.750834
H 2.157672 -2.966263 1.166150
H 3.274109 -1.651360 1.635237
H 0.012651 5.989394 -1.663021
H 0.166360 5.796694 0.100792
H 5.398580 -0.604355 -1.877438
H 4.281015 -1.918304 -2.315083
H 3.787395 -3.816328 -0.522444
H 4.577198 -3.711000 1.068914
H 6.052278 -2.792064 -0.778882
H 5.658302 -1.544608 0.430126
H -3.454067 0.488112 -0.860661
H -1.905022 -3.180770 0.868157
H -5.650583 -0.644183 -1.303702
H -4.095570 -4.319826 0.422691
H -5.973863 -3.052543 -0.664069


