%chk=000048704.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000048704

0 1
 O   0.9249000       2.401100     -0.3773000    
 O   -1.325700       3.809600     -0.2247000    
 O    2.448100       1.169500      0.9780000    
 O    4.604700     -0.3750000      0.7131000    
 N   -2.929600      -2.406000     -0.1968000    
 C   -1.600000      -1.863100      0.1858000    
 C   -1.516700     -0.3386000      5.4099999E-02
 C  -0.4668000      -2.497300     -0.6524000    
 C   -2.694600      0.4337000      3.1800002E-02
 C   -3.991600      -1.673400      0.5112000    
 C  -0.2453000      0.2890000      1.9800000E-02
 C   -4.044800     -0.2273000      2.7400000E-02
 C   0.8805000      -1.913100     -0.2910000    
 C   0.9792000     -0.5437000      3.7900001E-02
 C  -0.2038000       1.692400     -6.4900003E-02
 C   -2.613200       1.826600     -5.5000000E-02
 C   -3.053400      -3.836100      0.1044000    
 C   -1.373500       2.452200     -9.9900000E-02
 C    2.249800     -4.1400000E-02  0.3713000    
 C    2.024000      -2.726100     -0.3258000    
 C    3.382500     -0.8605000      0.3515000    
 C    3.270700      -2.200000     -2.4999999E-03
 C    1.153800       2.667700      -1.756500    
 C   -1.266100       4.568000      0.9808000    
 C    5.406600      0.1919000     -0.3202000    
 H   -1.419000      -2.083400       1.249400    
 H  -0.6359000      -2.335500      -1.725400    
 H  -0.4296000      -3.578700     -0.4813000    
 H   -3.832200      -1.708300       1.597700    
 H   -4.971600      -2.126300      0.3147000    
 H   -4.736700      0.3330000      0.6676000    
 H   -4.438200     -0.1959000     -0.9968000    
 H   -3.521700       2.422800     -9.9799998E-02
 H   -2.845100      -4.056600       1.157400    
 H   -2.386000      -4.436300     -0.5206000    
 H   -4.064800      -4.192200     -0.1248000    
 H    1.945400      -3.775400     -0.5985000    
 H    4.146600      -2.842500     -1.8200001E-02
 H    3.388600       1.277700       1.199700    
 H    1.064800       1.754800      -2.354800    
 H    2.173000       3.050000      -1.863400    
 H   0.4617000       3.427900      -2.130000    
 H   -2.157800       4.390000       1.590100    
 H   -1.228000       5.628400      0.7173000    
 H  -0.3655000       4.316200       1.549800    
 H    4.888700       1.030300     -0.7969000    
 H    5.658700     -0.5670000      -1.067600    
 H    6.332400      0.5623000      0.1284000    


%chk=000048704-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000048704

0 1
O 0.714865 2.535141 -0.703630
O -1.784552 3.910625 -0.300687
O 2.199987 1.269887 1.165593
O 4.460871 -0.015441 0.747205
N -2.825548 -2.490136 -0.023841
C -1.497696 -1.836918 0.120260
C -1.594888 -0.306678 0.102700
C -0.517336 -2.237416 -1.019386
C -2.835177 0.368744 0.167922
C -3.850398 -1.839366 0.831072
C -0.373537 0.421794 -0.070970
C -4.125809 -0.417421 0.322731
C 0.852622 -1.662242 -0.700820
C 0.897001 -0.344556 -0.137689
C -0.438440 1.825600 -0.288408
C -2.861002 1.781130 0.087718
C -2.765484 -3.946071 0.223498
C -1.680402 2.508136 -0.139550
C 2.128387 0.117701 0.386398
C 2.033011 -2.410688 -0.861353
C 3.319061 -0.645540 0.194504
C 3.287313 -1.893855 -0.446584
C 0.609177 3.046263 -2.091130
C -0.941452 4.706291 0.622793
C 5.742099 -0.706303 0.615108
H -1.021534 -2.148337 1.091606
H -0.929224 -1.846272 -1.971040
H -0.441786 -3.334101 -1.115439
H -3.530322 -1.804894 1.904918
H -4.774375 -2.444295 0.781907
H -4.813379 0.106983 1.014399
H -4.637844 -0.486828 -0.657139
H -3.802561 2.334014 0.176546
H -2.396184 -4.201452 1.249749
H -2.105765 -4.441396 -0.508123
H -3.775393 -4.376414 0.104694
H 1.981625 -3.412737 -1.301118
H 4.199065 -2.481535 -0.590159
H 3.156512 1.430586 1.387785
H 0.505525 2.203441 -2.800831
H 1.555232 3.578217 -2.277122
H -0.248550 3.735940 -2.194845
H -1.280633 4.556438 1.665530
H -1.093505 5.755407 0.325358
H 0.121239 4.421443 0.528667
H 6.006908 -0.848895 -0.450379
H 5.718147 -1.687569 1.127235
H 6.481630 -0.051026 1.098450


