%chk=000092698.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000092698

0 1
 O   -5.238600      0.9259000     -0.7459000    
 N    2.076900      -1.676900       1.318200    
 N    2.222900      -2.005900      -1.064500    
 C    7.469400      0.6119000      0.1511000    
 C    5.968800      0.3280000      6.1200000E-02
 C    7.768800       2.095500     -7.0100002E-02
 C    5.673800      -1.161700      0.2490000    
 C  -0.7342000     -0.9653000     -0.1710000    
 C   -2.230000      -1.271900     -0.2607000    
 C   9.6199997E-02  -2.237700      5.5700000E-02
 C   -3.048300      3.1000001E-03 -0.4527000    
 C    9.270700       2.374200     -1.3600000E-02
 C    4.194700      -1.447300      0.1976000    
 C    1.559700      -1.955200      0.1064000    
 C   -4.534500     -0.2978000     -0.5853000    
 C    3.402700      -1.426900       1.327500    
 C    3.544200      -1.745600     -0.9822000    
 C    9.574400       3.842200     -0.2667000    
 C   -6.527600      0.9635000     -0.2812000    
 C   -7.300000     -0.1980000     -0.2720000    
 C   -7.067300       2.163500      0.1818000    
 C   -8.612000     -0.1596000      0.2002000    
 C   -8.379200       2.201900      0.6542000    
 C   -9.151500       1.040300      0.6632000    
 H    8.000100      1.5000000E-02 -0.6007000    
 H    7.844900      0.3029000       1.134100    
 H    5.440000      0.9134000      0.8241000    
 H    5.587900      0.6613000     -0.9126000    
 H    7.253900       2.693000      0.6921000    
 H    7.375200       2.407300      -1.045300    
 H    6.075500      -1.509100       1.209300    
 H    6.184500      -1.749300     -0.5243000    
 H  -0.5510000     -0.2578000      0.6477000    
 H  -0.4062000     -0.4702000      -1.094000    
 H   -2.412600      -1.957200      -1.097300    
 H   -2.555700      -1.783100      0.6532000    
 H  -0.2138000      -2.719800      0.9911000    
 H  -0.1048000      -2.958200     -0.7469000    
 H   -2.888100      0.6869000      0.3904000    
 H   -2.707700      0.5428000      -1.345200    
 H    9.665700       2.087600      0.9680000    
 H    9.791200       1.766500     -0.7630000    
 H   -4.850300     -0.8307000      0.3211000    
 H   -4.713000     -0.9323000      -1.461300    
 H    3.816700      -1.201300       2.305100    
 H    4.075900      -1.785300      -1.927500    
 H    10.65340       4.019400     -0.2203000    
 H    9.093100       4.477300      0.4839000    
 H    9.221500       4.151200      -1.255900    
 H   -6.927800      -1.146000     -0.6490000    
 H   -6.470300       3.071400      0.1771000    
 H   -9.216000      -1.062400      0.2015000    
 H   -8.799600       3.136300       1.014400    
 H   -10.17360       1.070600       1.029400    


%chk=000092698-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000092698

0 1
O -5.243228 0.974977 -0.005299
N 2.186565 -1.975206 1.205867
N 2.277432 -2.018554 -1.223464
C 7.564325 0.646403 0.040489
C 6.058507 0.308739 -0.018060
C 7.855900 2.158323 -0.092678
C 5.787074 -1.217563 0.110353
C -0.706271 -1.088766 -0.052037
C -2.226822 -1.358685 -0.065584
C 0.123815 -2.402290 -0.076351
C -3.057626 -0.055429 -0.043541
C 9.363256 2.494181 -0.021762
C 4.312465 -1.559656 0.061673
C 1.607236 -2.126600 -0.029778
C -4.562491 -0.332767 -0.035582
C 3.521952 -1.695996 1.231109
C 3.611651 -1.738643 -1.158275
C 9.651092 4.004959 -0.157132
C -6.647120 0.985108 0.020931
C -7.458572 -0.177906 0.013539
C -7.243878 2.271176 0.057386
C -8.866436 -0.039696 0.043605
C -8.646690 2.391009 0.086938
C -9.469092 1.236457 0.080427
H 8.095275 0.098252 -0.765967
H 7.985844 0.274972 0.998141
H 5.522777 0.843312 0.791973
H 5.628762 0.676519 -0.971681
H 7.320898 2.709079 0.708912
H 7.443522 2.530496 -1.053763
H 6.223263 -1.578829 1.062513
H 6.322378 -1.743448 -0.704987
H -0.438609 -0.510649 0.854470
H -0.428774 -0.468378 -0.927200
H -2.484848 -1.952203 -0.967411
H -2.492021 -1.985769 0.811165
H -0.149088 -3.019631 0.798563
H -0.103584 -2.964635 -0.999346
H -2.801244 0.542142 0.852188
H -2.812616 0.566029 -0.925966
H 9.773656 2.123294 0.939750
H 9.897529 1.941519 -0.821471
H -4.851982 -0.924462 0.858602
H -4.869610 -0.891987 -0.944637
H 3.971793 -1.586910 2.226634
H 4.134517 -1.665704 -2.120860
H 10.734419 4.217561 -0.099316
H 9.151168 4.577494 0.646871
H 9.281806 4.394639 -1.124582
H -7.015194 -1.177564 -0.015216
H -6.592596 3.150810 0.062312
H -9.491117 -0.940410 0.037935
H -9.100790 3.387968 0.115413
H -10.559580 1.333319 0.103588


