%chk=000004858.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000004858

0 1
 O    4.802700       2.040300      0.2239000    
 O   -3.958500       1.362200     -0.3690000    
 N    2.517700       2.073300      7.4800000E-02
 N   -2.444800     -0.4379000     -0.3306000    
 N   -6.019700     -0.3980000      0.1288000    
 C    1.235000      9.1000004E-03 -7.4800000E-02
 C    2.501600     -0.7492000     -1.5600000E-02
 C    1.281800       1.413200     -2.7500000E-02
 C    3.724200     -5.4299999E-02  8.7099999E-02
 C  -3.5100002E-02 -0.5864000     -0.1768000    
 C   -1.200500      0.1863000     -0.2289000    
 C   0.1176000       2.190600     -7.9499997E-02
 C    3.739700       1.431100      0.1353000    
 C   -1.124400       1.573600     -0.1803000    
 C    2.564100      -2.154700     -5.6499999E-02
 C    4.949300     -0.7364000      0.1458000    
 C   -4.804000     -0.8937000     -0.5005000    
 C    3.784800      -2.834700      2.0999999E-03
 C   -3.715100      0.1600000     -0.3956000    
 C    4.975700      -2.126400      0.1031000    
 C   -5.785100     -9.8200001E-02   1.543300    
 C   -7.107000      -1.369800     -8.5000005E-03
 H  -0.1398000      -1.667700     -0.2176000    
 H    2.510400       3.089100      0.1062000    
 H   0.1725000       3.275800     -4.1700002E-02
 H   -1.976600       2.236900     -0.2156000    
 H    1.667000      -2.762200     -0.1350000    
 H    5.891600     -0.2009000      0.2249000    
 H   -2.412000      -1.454400     -0.3682000    
 H   -4.477000      -1.836300     -4.4399999E-02
 H   -4.967400      -1.072500      -1.570100    
 H    3.800500      -3.920400     -3.1599998E-02
 H    5.922800      -2.655500      0.1485000    
 H   -5.083800      0.7263000       1.699600    
 H   -5.416900     -0.9730000       2.092600    
 H   -6.719600      0.2237000       2.018700    
 H   -8.034900     -0.9724000      0.4176000    
 H   -6.877900      -2.320300      0.4870000    
 H   -7.309500      -1.571900      -1.066200    


%chk=000004858-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000004858

0 1
O 4.981873 2.091335 0.007878
O -3.944299 1.412716 -0.222606
N 2.661551 2.101189 -0.061382
N -2.424968 -0.377519 -0.172605
N -6.084155 -0.517951 0.208454
C 1.296469 0.068471 -0.063429
C 2.538293 -0.723447 -0.010415
C 1.396188 1.494889 -0.088021
C 3.801942 -0.048618 0.014293
C -0.000428 -0.503735 -0.092873
C -1.167124 0.290876 -0.143772
C 0.225501 2.293049 -0.137955
C 3.894145 1.434129 -0.011609
C -1.049419 1.711667 -0.164875
C 2.547504 -2.148448 0.018026
C 5.015736 -0.781219 0.064890
C -4.806027 -0.908833 -0.379818
C 3.753806 -2.866652 0.068269
C -3.708990 0.172478 -0.236686
C 4.999079 -2.184479 0.092017
C -6.031483 -0.287403 1.663307
C -7.199198 -1.382679 -0.213932
H -0.105189 -1.594939 -0.077227
H 2.723931 3.123689 -0.079202
H 0.318117 3.385454 -0.154425
H -1.952929 2.322233 -0.197998
H 1.605447 -2.705285 0.000832
H 5.950261 -0.211033 0.081684
H -2.381498 -1.399882 -0.143850
H -4.411256 -1.882173 0.033860
H -4.959583 -1.073060 -1.465668
H 3.731614 -3.961842 0.089198
H 5.935715 -2.749928 0.131213
H -5.281579 0.488865 1.888404
H -5.784452 -1.209611 2.249363
H -7.011820 0.084245 2.008195
H -8.148129 -0.969455 0.170511
H -7.114918 -2.439011 0.149814
H -7.260329 -1.403785 -1.317060


