%chk=000004342.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000004342

0 1
 O   0.8186000       1.664800      0.8602000    
 O   -6.086200      0.9900000      0.5713000    
 N    5.005400      4.3800000E-02 -6.4400002E-02
 N    1.388100     -0.5648000      0.5681000    
 N   -4.883000     -0.6900000     -0.5639000    
 C    3.590000     -0.1234000     -0.3925000    
 C    5.530900      -1.167700      0.5640000    
 C    5.773200      0.3709000      -1.265400    
 C    2.787700     -0.4246000      0.8648000    
 C    6.985000     -0.9903000      0.9673000    
 C    5.240500       1.628000      -1.932000    
 C   0.5050000      0.5084000      0.5905000    
 C  -0.9146000      0.1935000      0.2862000    
 C   -1.903200      0.9998000      0.8106000    
 C   -1.198500     -0.8962000     -0.5107000    
 C   -3.550100     -0.3931000     -0.2779000    
 C   -3.236000      0.7032000      0.5253000    
 C   -2.531400      -1.192600     -0.7959000    
 C   -6.031500     -9.1000004E-03 -0.1384000    
 C   -7.289900     -0.6506000     -0.6672000    
 H    3.439200     -0.9184000      -1.135300    
 H    3.168000      0.7950000     -0.8144000    
 H    5.017200      -1.383700       1.504300    
 H    5.427400      -2.047400     -8.3400004E-02
 H    6.814500      0.5911000      -1.008800    
 H    5.777200     -0.4550000      -1.988000    
 H    2.919200      0.3644000       1.614400    
 H    3.054400      -1.381500       1.319700    
 H    7.664100      -1.023600      0.1099000    
 H    7.144500     -5.3500000E-02   1.512400    
 H    7.284300      -1.808800       1.632100    
 H    4.309600       1.450600      -2.479300    
 H    5.084400       2.437700      -1.211000    
 H    5.968200       1.986400      -2.669200    
 H    1.053700      -1.507100      0.3982000    
 H   -1.674400       1.853400       1.441900    
 H  -0.4357000      -1.521600     -0.9622000    
 H   -3.968900       1.366600      0.9630000    
 H   -2.761800      -2.045200      -1.429900    
 H   -5.029000      -1.505000      -1.156100    
 H   -7.290200     -0.6169000      -1.760300    
 H   -8.165400     -0.1120000     -0.2944000    
 H   -7.345100      -1.690500     -0.3332000    


%chk=000004342-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000004342

0 1
O 1.120186 1.444288 -0.356759
O -5.948917 1.384863 -0.893756
N 5.093962 -0.349118 -0.144356
N 1.418496 -0.503105 0.868360
N -5.025151 -0.700373 -0.326999
C 3.659290 -0.707623 -0.260577
C 6.020604 -1.508562 -0.212561
C 5.489986 0.786897 -1.018556
C 2.870005 -0.279191 1.006779
C 7.384608 -1.241254 0.454936
C 4.788072 2.109863 -0.655623
C 0.626329 0.388553 0.161924
C -0.839192 0.064447 0.051599
C -1.723521 1.115249 -0.300198
C -1.380082 -1.233332 0.250358
C -3.640621 -0.394349 -0.214737
C -3.108632 0.907023 -0.429671
C -2.761261 -1.461328 0.119043
C -6.088694 0.152193 -0.648173
C -7.456743 -0.526598 -0.683521
H 3.542237 -1.800106 -0.410318
H 3.191789 -0.212221 -1.135811
H 5.535576 -2.350367 0.317203
H 6.185637 -1.848550 -1.268264
H 6.581791 0.926049 -0.919441
H 5.291805 0.548222 -2.096071
H 3.046183 0.795495 1.178601
H 3.238877 -0.834266 1.887143
H 7.959314 -0.457936 -0.070584
H 7.237345 -0.914539 1.499403
H 7.998599 -2.161391 0.452574
H 3.689454 2.041127 -0.751421
H 5.027957 2.398141 0.383852
H 5.134707 2.915888 -1.329268
H 0.987930 -1.290754 1.351622
H -1.292744 2.106274 -0.476205
H -0.730799 -2.089208 0.470604
H -3.783068 1.722745 -0.693889
H -3.160317 -2.473623 0.264638
H -5.271947 -1.676472 -0.149086
H -7.888043 -0.408665 -1.692646
H -8.130367 -0.008491 0.020325
H -7.435242 -1.600895 -0.430071


