%chk=000107830.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000107830

0 1
 O   -2.808900       4.140600      0.2965000    
 O   -4.472900      -2.605200      -1.172300    
 O    5.920700     -0.2735000      -1.366700    
 O   -2.728200       2.552300      -1.326200    
 O   -2.816400      -1.385100      -2.136100    
 O    5.599900      0.2703000      0.8160000    
 N  -0.6974000       1.480400      0.4983000    
 N   -2.058400      -1.086100      0.6810000    
 N    2.806400      0.2089000     -7.9499997E-02
 N   0.5741000      -2.123300      0.1598000    
 C   -1.645600       1.220100       1.598200    
 C   0.6909000       1.126300      0.8478000    
 C   -1.865600     -0.2801000       1.899300    
 C    1.524500      0.8586000     -0.4196000    
 C   -1.756000      -2.515200      0.8828000    
 C    2.822900      -1.237600     -0.3967000    
 C  -0.2661000      -2.811800       1.137200    
 C    1.981300      -2.118200      0.5431000    
 C  -0.7946000       2.880300      7.5199999E-02
 C   -3.415600     -0.9258000      0.1530000    
 C    3.906700      0.8702000     -0.7914000    
 C   -2.198400       3.144600     -0.3946000    
 C   -3.509000      -1.649700      -1.161700    
 C    5.205600      0.2592000     -0.3433000    
 H   -2.640200       1.623200       1.380400    
 H   -1.311900       1.723900       2.515300    
 H   0.7088000      0.2293000       1.469900    
 H    1.159200       1.912400       1.455200    
 H  -0.9942000     -0.6254000       2.463700    
 H   -2.715500     -0.3984000       2.584600    
 H   0.9589000      0.2655000      -1.149500    
 H    1.703000       1.824300     -0.9103000    
 H   -2.016400      -3.106100     -2.7000001E-03
 H   -2.351800      -2.920700       1.711100    
 H    3.834300      -1.644300     -0.2878000    
 H    2.549100      -1.413700      -1.446200    
 H  -5.5000000E-03  -2.503400       2.155900    
 H  -9.5799997E-02  -3.893700       1.081400    
 H    2.362100      -3.146100      0.4971000    
 H    2.114400      -1.773800       1.576100    
 H  -0.1344000       3.109900     -0.7677000    
 H  -0.5381000       3.565900      0.8923000    
 H   0.4550000      -2.537700     -0.7635000    
 H   -3.666300      0.1213000     -4.5499999E-02
 H   -4.166300      -1.318100      0.8501000    
 H    3.958900       1.939100     -0.5527000    
 H    3.799900      0.7742000      -1.879000    
 H   -3.716800       4.311300     -3.3399999E-02
 H   -4.531900      -3.055500      -2.041800    
 H    6.772000     -0.6523000      -1.059900    


%chk=000107830-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000107830

0 1
O -2.343583 4.440957 -0.914908
O -4.191155 -1.333311 -1.575440
O 5.372369 1.173097 0.640467
O -3.279541 2.373800 -0.437269
O -1.921101 -1.781799 -1.590969
O 3.680579 -0.138416 1.541639
N -0.691337 1.432832 0.501153
N -1.834701 -1.224326 1.261295
N 2.381505 -0.134186 -1.185036
N 0.575399 -2.284545 0.199544
C -1.341607 1.213506 1.813894
C 0.702391 0.926819 0.410957
C -1.396121 -0.262790 2.274848
C 1.153512 0.663464 -1.054140
C -1.481988 -2.630229 1.512418
C 2.309168 -1.584541 -1.414920
C 0.043479 -2.914375 1.398107
C 1.954999 -2.504341 -0.210888
C -0.858262 2.806735 0.023779
C -3.034285 -0.948403 0.496101
C 3.651178 0.484838 -0.905093
C -2.277407 3.119813 -0.443202
C -2.933809 -1.400859 -0.960300
C 4.170554 0.441266 0.551555
H -2.369310 1.615871 1.747205
H -0.832544 1.782882 2.636582
H 0.739822 -0.062310 0.892551
H 1.425409 1.606132 0.930090
H -0.390020 -0.576510 2.606785
H -2.038326 -0.276337 3.195701
H 0.327949 0.121345 -1.550711
H 1.300549 1.622606 -1.601209
H -1.999834 -3.246813 0.753916
H -1.829431 -2.990161 2.512719
H 3.287848 -1.913869 -1.821304
H 1.554226 -1.772556 -2.209410
H 0.582529 -2.539887 2.297504
H 0.163835 -4.029801 1.419442
H 2.167264 -3.562088 -0.529765
H 2.632373 -2.280186 0.637209
H -0.197618 2.988368 -0.842820
H -0.586577 3.592046 0.777869
H -0.118948 -2.126554 -0.540515
H -3.202903 0.143686 0.432440
H -3.975931 -1.388941 0.907502
H 3.630387 1.557367 -1.190354
H 4.458925 0.027998 -1.516645
H -3.271134 4.633089 -1.221572
H -4.097056 -1.574649 -2.536617
H 5.718680 1.125567 1.573013


