%chk=000025748.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000025748

0 1
 O   0.8700000     -0.7354000      -2.556100    
 O    2.450900       1.802200     -0.4104000    
 O   -3.032100      -2.275900      0.2276000    
 O   -1.842800       2.921300     -0.1985000    
 O    3.697400       2.244300       1.473900    
 N    1.970300      -1.419600      0.9783000    
 N  -0.4030000      -1.403800     -0.6653000    
 N   -4.310500       2.327100      0.7494000    
 N    3.849300       3.578700     -0.3924000    
 C    1.923800      -1.167300     -0.4598000    
 C    1.503100      -2.486100      0.1098000    
 C   0.7280000     -0.5767000      -1.143900    
 C   2.6300000E-02  -2.672900     -9.2000000E-02
 C   0.2830000      0.8874000     -0.8232000    
 C   -1.456400     -0.6059000     -0.2883000    
 C    3.220600      -1.707000       1.641800    
 C   -1.152500      0.6881000     -0.3785000    
 C    1.143200       1.710100      0.1267000    
 C   -2.764900      -1.080700      0.1679000    
 C    3.097200      -2.924800       2.541800    
 C   -2.125300       1.735100     -6.1000001E-02
 C    1.273800      -2.054200      -2.888000    
 C   -3.761300     -2.3100000E-02  0.5446000    
 C   -3.471700       1.292100      0.4380000    
 C   -5.077700     -0.5688000       1.031400    
 C    3.361000       2.515500      0.3261000    
 H    2.879400     -0.9968000     -0.9311000    
 H    2.110600      -3.356300     -8.9100003E-02
 H  -0.1928000      -3.507800     -0.7631000    
 H  -0.4584000      -2.870000      0.8706000    
 H   0.2532000       1.436600      -1.776200    
 H    4.042800      -1.866000      0.9325000    
 H    3.499200     -0.8383000       2.248700    
 H    1.176200       1.254300       1.122900    
 H   0.7366000       2.722000      0.2351000    
 H    2.271700      -2.811400       3.253100    
 H    2.942500      -3.850100       1.978700    
 H    4.017400      -3.049400       3.122900    
 H    2.264700      -2.335600      -2.524400    
 H    1.362900      -2.072900      -3.980800    
 H   0.5132000      -2.801300      -2.658300    
 H   -5.548300      -1.174300      0.2492000    
 H   -5.794400      0.2053000       1.315200    
 H   -4.921800      -1.201400       1.912200    
 H   -5.245000       2.155600       1.094000    
 H   -3.992200       3.281300      0.6317000    
 H    3.538800       3.762600      -1.340500    
 H    4.534600       4.213600      3.0000000E-03


%chk=000025748-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000025748

0 1
O 1.024406 -0.390263 -2.563458
O 2.201304 2.540844 -0.404123
O -2.875336 -2.507189 0.134040
O -1.973674 2.951522 0.163339
O 3.917232 1.256816 0.597296
N 1.769672 -1.403316 1.059409
N -0.333285 -1.374862 -0.732799
N -4.368570 2.052245 0.881635
N 4.359461 3.010727 -0.892244
C 1.999318 -1.126608 -0.411524
C 1.566683 -2.513307 0.055572
C 0.811959 -0.459536 -1.108450
C 0.093978 -2.728954 -0.293861
C 0.308589 0.982148 -0.736181
C -1.401798 -0.635997 -0.287883
C 3.010168 -1.516234 1.890982
C -1.126145 0.729547 -0.291175
C 1.124448 1.785349 0.296381
C -2.716798 -1.230798 0.147683
C 2.704263 -2.324840 3.160057
C -2.123721 1.672221 0.106166
C 1.208741 -1.670935 -3.264425
C -3.745864 -0.289701 0.559086
C -3.472298 1.081229 0.527229
C -5.090930 -0.822641 1.004521
C 3.532457 2.183648 -0.163457
H 3.012777 -0.910149 -0.762005
H 2.263753 -3.359039 0.043019
H -0.023926 -3.471423 -1.104750
H -0.518053 -3.052110 0.561943
H 0.325564 1.558693 -1.680334
H 3.847701 -1.988074 1.323688
H 3.329114 -0.488817 2.131610
H 1.562942 1.146177 1.078967
H 0.481907 2.563641 0.735593
H 1.885303 -1.851305 3.729022
H 2.397096 -3.358962 2.916595
H 3.596391 -2.375444 3.810528
H 2.076505 -2.238185 -2.875557
H 1.390094 -1.397307 -4.315320
H 0.295329 -2.291949 -3.199640
H -5.916450 -0.460142 0.359087
H -5.327261 -0.535098 2.048957
H -5.080542 -1.923173 0.951281
H -5.311463 1.837899 1.194553
H -4.029482 3.019211 0.826718
H 3.964430 3.737005 -1.484725
H 5.364612 2.886839 -0.816847


