%chk=000025803.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000025803

0 1
 O   -1.276000      -1.478400      -2.110100    
 O    1.394800       1.086500      0.5039000    
 O   -3.991500      -2.155900       1.505100    
 O    3.753900     -0.1079000     -0.3969000    
 O   0.4199000      -1.190500       2.206200    
 O    1.577400       3.141400     -0.5178000    
 N  -0.3804000      -1.153100      1.3300000E-02
 N   -1.807300      -1.554100       1.849900    
 N    2.313500       2.802800       1.634100    
 C   -2.830300      -1.010200     -0.3070000    
 C   -3.873000      -1.664400      -1.242700    
 C   -1.436300      -1.259500     -0.9077000    
 C   -3.156400      0.4986000     -0.2228000    
 C   -2.955000      -1.646800       1.080400    
 C   0.9743000      -1.060600     -0.5178000    
 C    1.429200      0.3811000     -0.7372000    
 C  -0.5183000      -1.268600       1.409000    
 C   -3.643800      -3.156100      -1.354700    
 C   -2.548400       1.382100      -1.105600    
 C   -4.053300      0.9538000      0.7353000    
 C    2.837900      0.4836000      -1.313200    
 C   -2.842500       2.743500      -1.029200    
 C   -4.347500       2.315100      0.8116000    
 C   -3.742100       3.209900     -7.0500001E-02
 C    5.085200     -5.6400001E-02 -0.8882000    
 C    6.011500     -0.7017000      0.1327000    
 C    7.466800     -0.6668000     -0.3255000    
 C    1.744400       2.405900      0.4494000    
 C    8.393400      -1.273300      0.7161000    
 H   -3.835000      -1.219600      -2.246000    
 H   -4.892900      -1.491800     -0.8739000    
 H    1.033300      -1.609200      -1.464900    
 H    1.654500      -1.562700      0.1804000    
 H   0.7235000      0.8625000      -1.426400    
 H   -1.897900      -1.808400       2.829600    
 H   -4.398100      -3.580900      -2.027600    
 H   -3.751000      -3.683900     -0.4037000    
 H   -2.672300      -3.422600      -1.777400    
 H    3.140300       1.517100      -1.506600    
 H    2.880100     -5.9099998E-02  -2.265600    
 H   -1.857900       1.056400      -1.875900    
 H   -4.562200      0.2916000       1.426700    
 H   -2.374100       3.440100      -1.718300    
 H   -5.051600       2.678300       1.554700    
 H    5.146400     -0.5930000      -1.842300    
 H    5.376100      0.9882000      -1.050400    
 H   -3.972500       4.269700     -1.2300000E-02
 H    5.904000     -0.1855000       1.095000    
 H    5.693500      -1.736500      0.3110000    
 H    7.772700      0.3683000     -0.5169000    
 H    7.573700      -1.216300      -1.268000    
 H    8.335000     -0.7237000       1.660900    
 H    8.134200      -2.319100      0.9100000    
 H    9.430100      -1.239300      0.3669000    
 H    2.635100       3.754800       1.773100    
 H    2.431200       2.155700       2.406400    


%chk=000025803-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000025803

0 1
O -0.890719 -1.002430 -1.895611
O 1.514888 1.361062 0.546139
O -3.996528 -1.960078 1.613364
O 3.895890 -0.230631 -0.476042
O 0.472736 -1.267854 2.560377
O 0.758659 3.143652 -0.811987
N -0.195864 -1.034257 0.312013
N -1.776851 -1.492400 2.037769
N 1.123430 3.379821 1.497909
C -2.681745 -0.948577 -0.220055
C -3.582399 -1.702253 -1.251569
C -1.209913 -1.019393 -0.676137
C -3.126476 0.553793 -0.148641
C -2.892156 -1.530597 1.189081
C 1.218638 -0.934027 -0.139028
C 1.568768 0.473438 -0.644327
C -0.434016 -1.242141 1.692668
C -3.274696 -3.207507 -1.386448
C -2.338663 1.600562 -0.686819
C -4.385701 0.869187 0.427515
C 2.950283 0.516203 -1.303154
C -2.791959 2.938555 -0.638925
C -4.839941 2.204660 0.465155
C -4.044061 3.247163 -0.064460
C 5.267093 -0.172623 -1.001593
C 6.160227 -1.006382 -0.079373
C 7.638271 -1.009543 -0.534401
C 1.099490 2.687035 0.311032
C 8.537891 -1.857741 0.390102
H -3.450778 -1.198155 -2.224740
H -4.630184 -1.561435 -0.934565
H 1.376443 -1.656166 -0.957187
H 1.864636 -1.192910 0.711650
H 0.835069 0.838587 -1.384126
H -1.928587 -1.750001 3.018499
H -3.956030 -3.664104 -2.126454
H -3.422811 -3.738284 -0.428833
H -2.242131 -3.380057 -1.738697
H 3.269253 1.573608 -1.422496
H 2.879125 0.059932 -2.316907
H -1.377030 1.401632 -1.166413
H -5.006781 0.073363 0.853273
H -2.153082 3.725902 -1.052807
H -5.815191 2.429335 0.911411
H 5.291139 -0.572604 -2.041559
H 5.610284 0.886512 -1.034274
H -4.396974 4.283919 -0.030317
H 6.081622 -0.605848 0.949608
H 5.772513 -2.043165 -0.049226
H 8.018001 0.032243 -0.564482
H 7.705804 -1.397016 -1.571671
H 8.509597 -1.476893 1.428176
H 8.202597 -2.911645 0.410938
H 9.590303 -1.843808 0.052498
H 0.826118 4.351065 1.505557
H 1.400800 2.910395 2.357188


