%chk=000058804.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000058804

0 1
 O  -8.4799998E-02  0.7917000      0.5537000    
 O    3.342200      0.9719000       1.220000    
 O    1.134300       2.400100       1.656400    
 N   -4.531400      0.3622000     -0.6188000    
 C   -3.878100      -1.553800      0.7690000    
 C   -2.482900     -0.9385000      0.9472000    
 C   -4.544000      -1.102000     -0.5331000    
 C   -2.454400      0.5315000      0.6053000    
 C   -3.452200       1.068400     -0.1162000    
 C   -1.282300       1.325900       1.089500    
 C    2.304500      0.7901000      0.2374000    
 C   -5.518300      0.9778000      -1.493200    
 C    2.098300     -0.7126000      2.2800000E-02
 C    1.078900       1.424600      0.9151000    
 C    2.751500       1.552300      -1.014600    
 C    1.703400      -1.150900      -1.219400    
 C    2.315800      -1.563400       1.080900    
 C    4.063200       1.122600      -1.631500    
 C    2.066000       2.562300      -1.579200    
 C    1.515300      -2.519100      -1.414800    
 C    2.127700      -2.931700      0.8856000    
 C    1.727400      -3.409500     -0.3623000    
 H   -3.809800      -2.647000      0.7979000    
 H   -4.509100      -1.251700       1.615700    
 H   -1.765100      -1.465400      0.3068000    
 H   -2.166300      -1.090000       1.985900    
 H   -4.009900      -1.519500      -1.395100    
 H   -5.571100      -1.483600     -0.5612000    
 H   -3.465400       2.122200     -0.3727000    
 H   -1.247100       1.284200       2.185000    
 H   -1.373800       2.377300      0.7902000    
 H   -6.479200      0.4561000      -1.432700    
 H   -5.172800      0.9486000      -2.531600    
 H   -5.697100       2.022300      -1.215300    
 H    1.503800     -0.4831000      -2.050400    
 H    2.612800      -1.212900       2.064000    
 H    4.877900       1.229100     -0.9078000    
 H    4.326300       1.733700      -2.502200    
 H    4.036100      8.2999997E-02  -1.967600    
 H    3.536900       1.922800       1.288400    
 H    1.118700       2.914900      -1.188500    
 H    2.436500       3.066800      -2.466100    
 H    1.196900      -2.890900      -2.384300    
 H    2.288800      -3.624800       1.706100    
 H    1.578300      -4.474600     -0.5136000    


%chk=000058804-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000058804

0 1
O -0.117566 0.779650 0.497834
O 3.473877 1.215865 1.057224
O 1.157230 1.935490 2.061001
N -4.570849 0.684586 -0.736422
C -4.208786 -1.428571 0.525211
C -2.740304 -1.022270 0.801226
C -4.733749 -0.782746 -0.775875
C -2.560431 0.482242 0.649422
C -3.460668 1.215599 -0.094826
C -1.413748 1.155685 1.295175
C 2.333711 0.770361 0.243456
C -5.381273 1.484013 -1.658338
C 2.367254 -0.771570 0.133163
C 1.058359 1.222617 1.021957
C 2.458269 1.439685 -1.147496
C 1.541834 -1.444666 -0.802118
C 3.225563 -1.521952 0.969876
C 3.818784 1.247297 -1.789611
C 1.463769 2.146696 -1.742860
C 1.573002 -2.853406 -0.892564
C 3.253772 -2.932756 0.879299
C 2.428064 -3.604191 -0.050574
H -4.303078 -2.527121 0.445993
H -4.847020 -1.097436 1.365945
H -2.054863 -1.565849 0.118873
H -2.454800 -1.335702 1.825213
H -4.193955 -1.203983 -1.653598
H -5.809040 -1.009981 -0.908557
H -3.342849 2.301685 -0.195115
H -1.201835 0.817300 2.325489
H -1.470884 2.257841 1.275917
H -6.458072 1.273925 -1.511523
H -5.133705 1.278061 -2.722329
H -5.215497 2.558484 -1.470902
H 0.878708 -0.863504 -1.451528
H 3.872745 -0.985025 1.668779
H 4.612050 1.588631 -1.101941
H 3.892384 1.804528 -2.738704
H 4.009210 0.176338 -1.994400
H 3.092207 1.818992 1.759993
H 0.472802 2.268086 -1.295601
H 1.624629 2.612707 -2.722037
H 0.933714 -3.365603 -1.621091
H 3.924533 -3.504959 1.530643
H 2.452901 -4.697670 -0.122979


