%chk=000047632.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000047632

0 1
 O   -4.728800      0.1473000     -0.8237000    
 O   -5.032800      -2.103200     -0.7353000    
 O   -1.925200       3.020200     -8.2400002E-02
 O   8.1699997E-02   2.545200      0.6698000    
 N    3.931400     -0.2343000     -0.4428000    
 N   0.7940000      0.1052000       1.134800    
 N   -4.237700      -1.158000     -0.5359000    
 N   -1.063600       2.185900      0.2954000    
 N   -3.718900       1.053800     -0.5457000    
 C    3.712000      0.5957000      0.7355000    
 C    3.098900     -0.2011000       1.891200    
 C    1.765100     -0.8720000       1.564200    
 C    4.842300      -1.338000     -0.1338000    
 C    4.462000      0.5675000      -1.547000    
 C  -0.4856000     -0.2163000      0.7098000    
 C    5.027900      -2.249400      -1.335100    
 C    3.531700       1.720000      -1.885100    
 C   -1.390900      0.8098000      0.2995000    
 C   -2.659100      0.3581000     -0.1098000    
 C  -0.8791000      -1.605600      0.6919000    
 C   -2.984800      -1.049100     -0.1022000    
 C   -2.140500      -2.082000      0.2869000    
 H    4.653300       1.045600       1.079200    
 H    3.031200       1.426000      0.5288000    
 H    2.930700      0.5061000       2.715900    
 H    3.799200     -0.9379000       2.298600    
 H    1.408200      -1.382000       2.467000    
 H    1.924900      -1.629500      0.7886000    
 H    5.819200     -0.9784000      0.2134000    
 H    4.432400      -1.981100      0.6501000    
 H    5.464500      0.9559000      -1.327700    
 H    4.531300     -3.3399999E-02  -2.459600    
 H    1.016400       1.082700       1.272400    
 H    4.069100      -2.524700      -1.788000    
 H    5.670400      -1.806300      -2.102200    
 H    5.516900      -3.177900      -1.018900    
 H    2.487900       1.395100      -1.957900    
 H    3.602100       2.541500      -1.165400    
 H    3.809200       2.139300      -2.859000    
 H  -0.1777000      -2.375200       1.012900    
 H   -2.400800      -3.131300      0.2877000    


%chk=000047632-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000047632

0 1
O -4.667954 0.646044 -0.996880
O -4.966300 -1.826176 -1.227585
O -1.765599 3.217462 0.252855
O 0.277549 2.577137 1.060066
N 4.096014 -0.252002 -0.301884
N 0.821884 0.062810 1.271820
N -4.204734 -0.882672 -0.871615
N -0.929745 2.288674 0.573697
N -3.609203 1.452668 -0.526762
C 3.832609 0.546540 0.922449
C 3.149062 -0.287080 2.035840
C 1.843868 -0.956668 1.566900
C 5.328572 -1.082371 -0.184240
C 4.073472 0.569013 -1.547105
C -0.405268 -0.166373 0.732047
C 5.309710 -2.324680 -1.095382
C 2.654557 0.988990 -1.976156
C -1.300922 0.917381 0.397323
C -2.602397 0.606406 -0.147720
C -0.829116 -1.543239 0.486699
C -2.951375 -0.782225 -0.351485
C -2.066400 -1.856320 -0.038869
H 4.767999 0.996790 1.335652
H 3.181520 1.396498 0.649726
H 2.958959 0.361793 2.913944
H 3.830176 -1.089246 2.377651
H 1.471921 -1.654517 2.343966
H 2.076734 -1.530208 0.647011
H 6.244338 -0.473930 -0.392214
H 5.412248 -1.418564 0.866346
H 4.721002 1.475584 -1.442617
H 4.516936 -0.040453 -2.355062
H 1.027837 1.077794 1.398839
H 4.434689 -2.956750 -0.862481
H 5.256050 -2.052250 -2.164563
H 6.227918 -2.923427 -0.949694
H 2.021224 0.096516 -2.125876
H 2.162121 1.638797 -1.230113
H 2.695716 1.553038 -2.926199
H -0.131948 -2.346235 0.734942
H -2.375324 -2.890345 -0.217172


