%chk=000030765.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000030765

0 1
 O   0.2921000      0.2716000      0.3197000    
 O   -1.337300      -3.909800     -0.1338000    
 O   -2.359100      0.5893000      0.3335000    
 O    1.129200      -1.136600       1.923600    
 O   -3.903700       3.702400     -3.3799998E-02
 O   -2.495500       2.935200       1.471600    
 N    3.846200      0.9718000     -0.4601000    
 N   -2.274500      -2.966500     -0.5370000    
 N   -3.186200       2.765800      0.4244000    
 C    2.583700      0.2475000     -0.4074000    
 C    1.484400       1.055700      0.2863000    
 C    4.267200       1.375800      0.8831000    
 C    4.884800      0.1549000      -1.091700    
 C    1.158200       2.359900     -0.4303000    
 C    5.548500       2.190800      0.8351000    
 C    4.470300     -0.2768000      -2.488100    
 C   0.3769000     -0.9282000      0.9772000    
 C  -0.5258000      -1.948100      0.4364000    
 C   -1.755800      -1.788700     -0.1785000    
 C  -0.2883000      -3.277400      0.4518000    
 C   -2.465200     -0.5230000     -0.4402000    
 C   0.8000000      -4.136100      0.9385000    
 C   -3.322100     -0.2990000      -1.492700    
 C   -3.771300       1.036200      -1.356800    
 C   -3.156800       1.533300     -0.2309000    
 H    2.208900      2.4100000E-02  -1.413700    
 H    2.732900     -0.7244000      7.7299997E-02
 H    1.716300       1.284900       1.330900    
 H    3.540200       2.048900       1.344600    
 H    4.395700      0.5147000       1.550900    
 H    5.804200      0.7348000      -1.222900    
 H    5.133100     -0.7296000     -0.4915000    
 H   0.3163000       2.861100      5.9900001E-02
 H   0.8456000       2.169800      -1.463200    
 H    2.006900       3.049200     -0.4420000    
 H    6.430600       1.573100      0.6409000    
 H    5.496700       2.985600      8.2999997E-02
 H    5.714400       2.671800       1.806000    
 H    3.718900      -1.072400      -2.474900    
 H    4.090600      0.5643000      -3.078400    
 H    5.339800     -0.6802000      -3.019500    
 H   0.7041000      -5.158200      0.5586000    
 H    1.772200      -3.750300      0.6159000    
 H   0.7930000      -4.179500       2.031900    
 H   -3.596500     -0.9996000      -2.269400    
 H   -4.457400       1.564700      -2.003500    


%chk=000030765-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000030765

0 1
O 0.489877 -0.256883 -0.000305
O -2.011321 -3.945728 1.078150
O -2.249239 0.554653 0.019217
O 1.382500 -1.355312 1.859985
O -3.542573 3.622523 -1.300831
O -2.044992 3.238076 0.401729
N 4.067765 0.865259 -0.492060
N -2.798884 -2.975463 0.317132
N -2.834841 2.841752 -0.542515
C 2.831168 0.090854 -0.745233
C 1.641129 0.728065 0.014306
C 4.770402 0.422348 0.746637
C 4.964939 0.973643 -1.673160
C 1.112796 2.010548 -0.617142
C 5.597336 1.543254 1.403345
C 4.436211 1.942934 -2.747192
C 0.475497 -1.214756 0.995109
C -0.719532 -2.085670 0.901108
C -1.988057 -1.883243 0.228240
C -0.786672 -3.376015 1.428295
C -2.535782 -0.730640 -0.473519
C 0.150797 -4.218596 2.221669
C -3.413142 -0.639523 -1.557777
C -3.682748 0.750915 -1.772114
C -2.959888 1.434904 -0.799163
H 2.603035 0.096030 -1.826153
H 2.935295 -0.974520 -0.433540
H 1.920530 0.879406 1.072752
H 4.003328 0.075453 1.463608
H 5.424855 -0.461757 0.540228
H 5.940295 1.348741 -1.313728
H 5.161554 -0.029028 -2.131062
H 0.297077 2.446984 -0.016974
H 0.739299 1.819246 -1.640052
H 1.944296 2.733699 -0.677529
H 6.400698 1.910848 0.739118
H 4.947145 2.399091 1.654986
H 6.073563 1.175599 2.331387
H 3.462658 1.617092 -3.156759
H 4.303312 2.951075 -2.317195
H 5.148329 2.008578 -3.590891
H 0.460356 -5.111747 1.649370
H 1.036675 -3.621644 2.485159
H -0.335225 -4.570231 3.149212
H -3.800814 -1.483452 -2.123140
H -4.312603 1.205440 -2.531910


