%chk=000054157.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000054157

0 1
 O  -0.6314000     -0.1993000      0.2940000    
 O   0.7005000      -1.158300      -1.326400    
 N   -4.178200      -1.186000      7.8599997E-02
 C    1.666200      0.3426000      0.3365000    
 C    1.804100       1.775600     -0.2179000    
 C   0.6950000       2.706000      0.2892000    
 C    2.973200     -0.4225000      0.2341000    
 C   0.8416000       4.111600     -0.2946000    
 C   0.5496000     -0.4295000     -0.3545000    
 C   -2.990100     -0.5221000      0.5938000    
 C   -1.769400     -0.8859000     -0.2363000    
 C   -5.221100      -1.252600       1.105400    
 C   -4.683300     -0.4955000      -1.110600    
 C    3.323200      -1.340900       1.224000    
 C    3.824200     -0.2078000     -0.8502000    
 C  -0.2712000       5.031400      0.1821000    
 C   -5.673800      0.1374000       1.519000    
 C   -5.883000      -1.219400      -1.697700    
 C    4.524100      -2.044200       1.130000    
 C    5.025000     -0.9113000     -0.9443000    
 C    5.374900      -1.829400      4.5800000E-02
 H    1.422100      0.4079000       1.406300    
 H    1.770800       1.765400      -1.315000    
 H    2.768100       2.208800      7.9700001E-02
 H  -0.2870000       2.310800      8.0000004E-03
 H   0.7257000       2.755200       1.384200    
 H   0.8229000       4.064700      -1.389600    
 H    1.809500       4.536300     -4.1999999E-03
 H   -3.088400      0.5708000      0.6301000    
 H   -2.778500     -0.8362000       1.625100    
 H   -1.589300      -1.967100     -0.1924000    
 H   -1.886300     -0.5857000      -1.282400    
 H   -4.828300      -1.778500       1.985400    
 H   -6.075000      -1.859700      0.7868000    
 H   -3.915600     -0.5139000      -1.892300    
 H   -4.911600      0.5640000     -0.9496000    
 H    2.668400      -1.519900       2.072700    
 H    3.576400      0.4830000      -1.649800    
 H  -0.2625000       5.124800       1.272700    
 H  -0.1461000       6.031100     -0.2456000    
 H   -1.251800       4.651900     -0.1226000    
 H   -4.864400      0.7688000       1.895800    
 H   -6.206900      0.6733000      0.7290000    
 H   -6.387600      3.8100000E-02   2.346000    
 H   -5.698000      -2.294300      -1.799700    
 H   -6.793600      -1.071000      -1.109500    
 H   -6.091100     -0.8296000      -2.700600    
 H    4.796200      -2.759900       1.900300    
 H    5.685700     -0.7481000      -1.790800    
 H    6.309200      -2.378200     -2.8300000E-02


%chk=000054157-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000054157

0 1
O -0.745415 0.002459 0.255662
O 0.328430 0.357723 -1.778626
N -4.235837 -1.318791 -0.086546
C 1.500453 0.880377 0.346786
C 2.117620 2.181430 -0.243390
C 1.150421 3.385107 -0.229323
C 2.547698 -0.235701 0.471645
C 1.793869 4.670417 -0.797775
C 0.335935 0.405615 -0.525597
C -2.985294 -0.879144 0.577438
C -1.925099 -0.549507 -0.481970
C -4.908862 -2.466165 0.571463
C -5.119831 -0.186087 -0.462043
C 2.984448 -0.659542 1.751259
C 3.121501 -0.831431 -0.681679
C 0.832962 5.878759 -0.786741
C -5.541969 -2.185564 1.962406
C -6.203571 -0.570343 -1.486067
C 3.982128 -1.652705 1.880900
C 4.115578 -1.826017 -0.552993
C 4.552121 -2.239020 0.727878
H 1.092575 1.092406 1.351763
H 2.442751 1.978280 -1.281828
H 3.027037 2.423403 0.340807
H 0.245535 3.142260 -0.823149
H 0.806880 3.576045 0.809232
H 2.134083 4.476258 -1.835118
H 2.703955 4.914023 -0.212043
H -3.130991 0.007743 1.237097
H -2.603599 -1.693848 1.219063
H -1.614360 -1.449221 -1.039811
H -2.274787 0.205882 -1.208295
H -4.160140 -3.275504 0.668057
H -5.687468 -2.849173 -0.113690
H -4.478199 0.596203 -0.910121
H -5.601462 0.283464 0.432829
H 2.541346 -0.210639 2.648811
H 2.775994 -0.524714 -1.675816
H 0.497759 6.110388 0.242036
H 1.317084 6.784426 -1.196153
H -0.068257 5.673404 -1.394701
H -4.785991 -1.818143 2.680836
H -6.348893 -1.432739 1.900037
H -5.979389 -3.113429 2.375918
H -5.742342 -1.045387 -2.369865
H -6.946030 -1.271946 -1.064680
H -6.750822 0.331644 -1.816318
H 4.310615 -1.968994 2.877539
H 4.548555 -2.280906 -1.451225
H 5.324375 -3.010356 0.825799


