%chk=000002225.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000002225

0 1
 O    2.168700       1.001100      7.7399999E-02
 O   -3.892700     -0.4609000       1.335600    
 O    1.390500       1.670000       2.152500    
 O   -3.552300      -1.561400     -0.6724000    
 O    1.854900      -2.382600       2.068000    
 O   0.4847000     -0.6755000       2.234100    
 O    4.091900      0.2307000      -1.647100    
 N   -1.790100       2.596100     -0.8567000    
 N    1.011200      -1.599900       1.570600    
 C  -0.9381000      0.1916000      0.3762000    
 C  -6.9499999E-02   1.452400      0.2983000    
 C   -2.365200      0.4179000     -0.1327000    
 C  -0.2908000     -0.9239000     -0.3933000    
 C  -0.5151000       2.573400     -0.3135000    
 C   -2.717500       1.573500     -0.7398000    
 C   0.6392000      -1.765900      0.2080000    
 C  -0.6426000      -1.098800      -1.728200    
 C    1.235600       1.396300      0.9767000    
 C   0.2686000       3.847600     -0.4779000    
 C   -3.333100     -0.6625000      0.1184000    
 C   -4.072700       1.877000      -1.319400    
 C    1.223500      -2.793200     -0.5329000    
 C  -5.8200002E-02  -2.126100      -2.469000    
 C   0.8749000      -2.973300      -1.871400    
 C    3.500700      0.8972000      0.5907000    
 C   -4.863100      -1.437800       1.726800    
 C    4.458200      0.4504000     -0.4935000    
 C    5.898300      0.2866000     -8.5299999E-02
 H   -1.186700     -2.9400000E-02   1.414300    
 H   -2.088700       3.449600      -1.315300    
 H   -1.333800     -0.4470000      -2.252700    
 H  -0.2514000       4.676800      1.3700000E-02
 H   0.3772000       4.089700      -1.540600    
 H    1.273600       3.789000     -5.0500002E-02
 H   -4.515300       2.741600     -0.8133000    
 H   -4.774100       1.043300      -1.223400    
 H   -3.983700       2.109300      -2.386100    
 H    1.955400      -3.473200     -0.1043000    
 H  -0.3228000      -2.261500      -3.513600    
 H    1.331400      -3.771500      -2.449400    
 H    3.827300       1.877800      0.9530000    
 H    3.527300      0.1592000       1.398900    
 H   -5.701500      -1.441400       1.023600    
 H   -4.401500      -2.428300       1.783500    
 H   -5.237100      -1.167500       2.717800    
 H    6.491300     -3.5100002E-02 -0.9459000    
 H    6.287700       1.241800      0.2750000    
 H    5.972500     -0.4714000      0.6982000    


%chk=000002225-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000002225

0 1
O 1.808849 0.926997 1.011727
O -2.462208 -1.231936 1.444785
O 2.105960 3.030684 0.045184
O -4.434965 -0.376353 0.554096
O -0.233375 -3.493428 1.703643
O 0.438475 -1.392923 2.242066
O 3.752567 0.140135 -0.814012
N -1.965923 2.603894 -1.344748
N 0.106070 -2.284693 1.376652
C -0.742503 0.514990 0.216477
C -0.024134 1.819877 -0.178053
C -2.267149 0.637174 -0.002866
C -0.192633 -0.683683 -0.599292
C -0.628415 2.778178 -0.973984
C -2.808827 1.618127 -0.816901
C 0.141815 -1.962667 -0.073810
C -0.087477 -0.542950 -2.006578
C 1.364334 2.030386 0.255969
C 0.008008 4.050241 -1.489615
C -3.175181 -0.324299 0.648161
C -4.267228 1.779664 -1.186974
C 0.547154 -3.038572 -0.900003
C 0.338225 -1.592764 -2.843930
C 0.656573 -2.853331 -2.289072
C 3.203973 0.949993 1.429936
C -3.271185 -2.229803 2.180351
C 4.135914 0.357363 0.359872
C 5.550337 0.055963 0.839132
H -0.546204 0.309902 1.279707
H -2.388033 3.315303 -1.942413
H -0.336019 0.427228 -2.449010
H 0.256888 4.731802 -0.658493
H -0.668916 4.573678 -2.190587
H 0.964833 3.841521 -1.994060
H -4.879770 1.997095 -0.295606
H -4.678782 0.847044 -1.603996
H -4.398326 2.596925 -1.921129
H 0.771741 -4.002611 -0.435907
H 0.422589 -1.429199 -3.923689
H 0.988884 -3.678133 -2.927285
H 3.530213 1.990163 1.634982
H 3.252216 0.355418 2.358220
H -3.847428 -1.730809 2.977875
H -3.966126 -2.739747 1.492879
H -2.532656 -2.929251 2.597034
H 6.235938 -0.002444 -0.020406
H 5.909866 0.814106 1.558309
H 5.559040 -0.922458 1.358462


