%chk=000028958.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000028958

0 1
 O   -6.396500      -1.449700     -0.6094000    
 O    1.135800       3.362300      0.5781000    
 O    4.070900      -2.606500      0.7637000    
 N   -4.098100     -9.8499998E-02  0.3873000    
 N  -0.6965000       1.360600      0.1995000    
 N    4.792600     -0.6495000     -0.2771000    
 C   -4.030800     -0.9491000     -0.8092000    
 C   -5.445000      0.4729000      0.5236000    
 C   -3.089700      0.9577000      0.3304000    
 C   -5.100000      -2.035400     -0.7334000    
 C   -6.480300     -0.6474000      0.5689000    
 C   -1.699800      0.3361000      0.2830000    
 C   0.6447000       1.091500      0.1099000    
 C    1.124600     -0.1622000      9.3599997E-02
 C    1.505300       2.312000      5.3199999E-02
 C    2.487800     -0.6289000      0.1105000    
 C    3.583700     -3.8999999E-03 -0.3427000    
 C    2.746800       2.315200     -0.7556000    
 C    3.610000       1.311300     -0.9383000    
 C    4.951300      -1.912200      0.2605000    
 C    6.383200      -2.376400      0.2034000    
 H   -3.083400      -1.485800     -0.8950000    
 H   -4.178100     -0.3502000      -1.717100    
 H   -5.663700       1.137400     -0.3225000    
 H   -5.517800       1.061000       1.445500    
 H   -3.244100       1.613100     -0.5374000    
 H   -3.162300       1.590500       1.224500    
 H   -5.092200      -2.631900      -1.651500    
 H   -4.925400      -2.718500      0.1070000    
 H   -6.351400      -1.282100       1.454100    
 H   -7.488000     -0.2219000      0.6106000    
 H   -1.545000     -0.2817000       1.176600    
 H   -1.580300     -0.2894000     -0.6044000    
 H  -0.9757000       2.336300      0.2186000    
 H   0.4278000     -0.9986000      0.1393000    
 H    2.427300      -1.613600      0.5364000    
 H    2.977200       3.274900      -1.214200    
 H    4.473600       1.524900      -1.567700    
 H    5.609900     -0.1646000     -0.6395000    
 H    6.431500      -3.447500      0.4185000    
 H    6.972300      -1.832400      0.9468000    
 H    6.801100      -2.201700     -0.7922000    


%chk=000028958-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000028958

0 1
O -6.792463 -1.386413 -0.213283
O 0.650070 3.352872 -0.608527
O 4.436623 -2.896112 0.421266
N -4.221197 -0.090193 0.203667
N -0.702449 1.232395 -0.135323
N 5.000403 -0.655479 -0.034004
C -4.461380 -0.977405 -0.966808
C -5.493958 0.558099 0.620848
C -3.134390 0.887591 -0.017133
C -5.531478 -2.026022 -0.621148
C -6.546649 -0.513442 0.946696
C -1.742321 0.231698 0.100016
C 0.649085 1.015215 -0.148468
C 1.199186 -0.266606 0.085061
C 1.380110 2.292932 -0.432988
C 2.536065 -0.722772 0.108275
C 3.728616 0.005457 -0.097727
C 2.819930 2.370018 -0.514951
C 3.817366 1.406459 -0.376190
C 5.305555 -1.996697 0.207003
C 6.799279 -2.318058 0.196875
H -3.524698 -1.497367 -1.239391
H -4.798768 -0.387424 -1.856294
H -5.895045 1.229861 -0.179223
H -5.305491 1.171966 1.521861
H -3.219223 1.399934 -1.009740
H -3.216490 1.671585 0.759929
H -5.783048 -2.640297 -1.501328
H -5.160130 -2.679313 0.197747
H -6.200602 -1.124107 1.808445
H -7.520609 -0.054505 1.183486
H -1.644647 -0.215582 1.109658
H -1.642061 -0.594818 -0.633591
H -0.934272 2.225051 -0.322997
H 0.463668 -1.056730 0.284888
H 2.674325 -1.789196 0.314259
H 3.157794 3.392113 -0.731462
H 4.840495 1.796209 -0.503185
H 5.805621 -0.045814 -0.192122
H 6.991197 -3.100037 -0.557808
H 7.081811 -2.736545 1.178376
H 7.447471 -1.450421 -0.018364


