%chk=000055416.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000055416

0 1
 O   -4.309100      0.7102000     -0.6132000    
 O    8.570900      0.4085000     -9.2200004E-02
 N   0.2288000     -0.7034000      0.3388000    
 N    3.051700     -0.3911000      3.3900000E-02
 N   -9.688800     -1.6100001E-02  0.5934000    
 C   0.7709000      0.1764000     -0.7037000    
 C    1.128600      -1.844800      0.5467000    
 C    2.149400      0.7123000     -0.3095000    
 C    2.518300      -1.375700      0.9836000    
 C   -1.110100      -1.165600     -2.4900001E-02
 C   -2.061000      1.9500000E-02 -0.1595000    
 C    4.436300     -0.1908000      2.4000001E-03
 C   -3.470400     -0.4327000     -0.5168000    
 C    4.992000       1.076100      0.2699000    
 C    5.316400      -1.249700     -0.2979000    
 C    6.372100       1.276200      0.2381000    
 C    6.696500      -1.049500     -0.3295000    
 C    7.224400      0.2134000     -6.1500002E-02
 C   -5.635100      0.5312000     -0.3158000    
 C   -6.232400     -0.7016000     -0.5510000    
 C   -6.368300       1.584700      0.2177000    
 C   -7.581900     -0.8836000     -0.2485000    
 C   -7.717800       1.402700      0.5203000    
 C   -8.324600      0.1685000      0.2872000    
 C    9.043000       1.724700      0.1917000    
 H   0.1591000       1.068100     -0.8593000    
 H   0.8406000     -0.3522000      -1.663900    
 H   0.7282000      -2.501300       1.328700    
 H    1.215000      -2.443200     -0.3703000    
 H    2.050900       1.392600      0.5464000    
 H    2.546600       1.287000      -1.155600    
 H    3.166600      -2.256200       1.060800    
 H    2.467700     -0.9226000       1.982200    
 H   -1.092000      -1.741600     -0.9594000    
 H   -1.492000      -1.831100      0.7595000    
 H   -2.088100      0.6026000      0.7702000    
 H   -1.764200      0.7153000     -0.9499000    
 H   -3.464900     -0.9568000      -1.479700    
 H   -3.810500      -1.118600      0.2701000    
 H    4.359600       1.924400      0.5197000    
 H    4.927100      -2.240200     -0.5229000    
 H    6.715200       2.281200      0.4587000    
 H    7.355200      -1.880600     -0.5662000    
 H   -5.697700      -1.536800     -0.9927000    
 H   -5.899300       2.547200      0.4008000    
 H   -8.045300      -1.848200     -0.4402000    
 H   -8.285800       2.230400      0.9374000    
 H    10.13550       1.698200      0.1225000    
 H    8.693000       2.447300     -0.5533000    
 H    8.794900       2.029300       1.214100    
 H   -10.12920     -0.9106000      0.4238000    
 H   -10.22820      0.7464000      0.9811000    


%chk=000055416-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000055416

0 1
O -4.437447 0.655999 0.194502
O 8.808823 0.356053 -0.076776
N 0.293451 -0.737124 0.262775
N 3.160682 -0.393657 -0.048595
N -10.069938 0.074013 -0.049681
C 0.850893 0.345774 -0.583412
C 1.207119 -1.906147 0.232789
C 2.250041 0.765336 -0.097747
C 2.599448 -1.511380 0.748011
C -1.093227 -1.115244 -0.103607
C -2.116837 0.007988 0.164707
C 4.565938 -0.161731 -0.012547
C -3.553592 -0.504343 0.028367
C 5.118716 1.145682 0.080287
C 5.483208 -1.253458 -0.121025
C 6.516872 1.363557 0.052164
C 6.870200 -1.044805 -0.131498
C 7.401300 0.266864 -0.047883
C -5.830224 0.423364 0.119104
C -6.430147 -0.836892 -0.114805
C -6.652616 1.562021 0.296118
C -7.837687 -0.950791 -0.170560
C -8.052396 1.447347 0.240238
C -8.673590 0.184763 0.005190
C 9.389495 1.694216 0.010907
H 0.187562 1.226668 -0.534083
H 0.921456 0.023676 -1.654801
H 0.791468 -2.697091 0.885083
H 1.306919 -2.323618 -0.802253
H 2.154516 1.254060 0.901327
H 2.652096 1.509058 -0.808443
H 3.267048 -2.385447 0.691048
H 2.512651 -1.217028 1.819955
H -1.163054 -1.434705 -1.177813
H -1.360531 -1.998912 0.510482
H -1.959623 0.404241 1.184099
H -1.985197 0.847167 -0.542624
H -3.719463 -0.965004 -0.970241
H -3.779228 -1.264770 0.806858
H 4.465659 2.015500 0.194473
H 5.108555 -2.276484 -0.228287
H 6.892196 2.389275 0.123843
H 7.564121 -1.886609 -0.221283
H -5.822802 -1.736382 -0.254811
H -6.175234 2.530315 0.477339
H -8.289149 -1.934065 -0.352276
H -8.673294 2.340892 0.379889
H 10.478457 1.541675 -0.028490
H 9.072403 2.330816 -0.839404
H 9.118013 2.192844 0.962921
H -10.515252 -0.822724 -0.215694
H -10.660980 0.889049 0.078465


