%chk=000028515.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000028515

0 1
 O    3.761200       1.177600      0.7679000    
 O    3.754600      -1.300500      -1.068900    
 O    6.560300      0.1229000      0.7851000    
 N   -1.004700       3.940900     -5.0200000E-02
 N  -0.9819000      -3.910900      0.2619000    
 C    5.598300      3.5200000E-02 -0.2686000    
 C    4.756000       1.303800     -0.2428000    
 C    4.742400      -1.206700     -4.7699999E-02
 C    2.589300       1.857000      0.5667000    
 C    2.589900      -1.942300     -0.7416000    
 C   0.2021000       3.241200      0.1570000    
 C   0.2174000      -3.249900     -7.5099997E-02
 C    1.395500       1.357700       1.087700    
 C    1.394100      -1.575100      -1.359000    
 C    2.589600       3.048300     -0.1588000    
 C    2.599500      -2.963300      0.2087000    
 C   0.2018000       2.049900      0.8827000    
 C   0.2078000      -2.228900      -1.025600    
 C    1.396000       3.740300     -0.3637000    
 C    1.413300      -3.617000      0.5420000    
 C   -2.344100       3.520100     -0.1638000    
 C   -2.327400      -3.495100      0.2811000    
 C   -3.377300       4.362500      0.2468000    
 C   -3.346300      -4.417600      4.2700000E-02
 C   -2.637200       2.260600     -0.6867000    
 C   -2.641300      -2.160400      0.5383000    
 C   -4.703600       3.945300      0.1348000    
 C   -4.678800      -4.005500      6.1000001E-02
 C   -3.963600       1.843500     -0.7987000    
 C   -3.973800      -1.748400      0.5568000    
 C   -4.996800       2.686000     -0.3879000    
 C   -4.992500      -2.671100      0.3182000    
 H    6.146400     -2.2299999E-02  -1.214800    
 H    5.380100       2.178900     -2.8000001E-02
 H    4.296300       1.411200      -1.234000    
 H    4.312300      -1.183800      0.9630000    
 H    5.388600      -2.092700     -9.6900001E-02
 H    1.390300      0.4321000       1.656800    
 H    1.381700     -0.7822000      -2.101900    
 H    3.499900       3.485500     -0.5580000    
 H    3.512000      -3.300500      0.6910000    
 H  -0.7091000       1.648000       1.317900    
 H  -0.7047000      -1.935800      -1.537500    
 H    1.409100       4.670200     -0.9266000    
 H    1.433900      -4.414900       1.280000    
 H    6.076600      0.2176000       1.623700    
 H  -0.8838000       4.946500     -0.1326000    
 H  -0.8486000      -4.877600      0.5457000    
 H   -3.161700       5.346000      0.6566000    
 H   -3.114500      -5.460200     -0.1596000    
 H   -1.854900       1.592500      -1.036400    
 H   -1.870600      -1.424700      0.7521000    
 H   -5.508200       4.601300      0.4541000    
 H   -5.472100      -4.723800     -0.1239000    
 H   -4.193200      0.8696000      -1.220000    
 H   -4.220600     -0.7147000      0.7761000    
 H   -6.029500       2.362300     -0.4783000    
 H   -6.030100      -2.350900      0.3370000    


%chk=000028515-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000028515

0 1
O 2.856920 1.717903 0.517007
O 2.835643 -1.749982 -0.673485
O 5.280378 0.488895 0.981501
N -0.612777 6.163568 -0.093505
N -0.605036 -6.206068 0.028205
C 4.396741 -0.010459 -0.078009
C 3.538843 1.124751 -0.649178
C 3.555593 -1.175365 0.473085
C 2.001068 2.817419 0.295508
C 1.991385 -2.850483 -0.426826
C 0.222014 5.029551 0.064300
C 0.222476 -5.067922 -0.149519
C 1.367164 3.347878 1.443877
C 1.304716 -3.365024 -1.553060
C 1.757629 3.397400 -0.971323
C 1.806332 -3.453630 0.840063
C 0.495233 4.444708 1.334709
C 0.438342 -4.463615 -1.421706
C 0.866627 4.486502 -1.078654
C 0.919687 -4.544074 0.970657
C -1.701604 6.582040 0.703882
C -1.737375 -6.604874 -0.714734
C -2.131163 7.937255 0.603034
C -2.175511 -7.957120 -0.604989
C -2.420051 5.699321 1.559747
C -2.489652 -5.707516 -1.525771
C -3.242739 8.394913 1.338030
C -3.326687 -8.397384 -1.287499
C -3.523862 6.173967 2.299079
C -3.633800 -6.164973 -2.212695
C -3.945477 7.520410 2.200556
C -4.063420 -7.508296 -2.105799
H 5.060506 -0.391889 -0.872873
H 4.182497 1.886819 -1.130856
H 2.801207 0.727490 -1.371903
H 2.837427 -0.811889 1.235512
H 4.232760 -1.925195 0.925903
H 1.577841 2.899291 2.419865
H 1.475192 -2.902318 -2.530247
H 2.233635 3.007670 -1.875575
H 2.327364 -3.081738 1.726973
H 0.050505 4.868118 2.239320
H -0.046013 -4.874341 -2.311792
H 0.662827 4.915142 -2.067551
H 0.761867 -4.989864 1.960528
H 4.738222 1.108153 1.539343
H -0.405680 6.755653 -0.899081
H -0.353593 -6.816785 0.806803
H -1.582945 8.629571 -0.048986
H -1.602507 -8.660753 0.012840
H -2.142175 4.643195 1.617476
H -2.203935 -4.653852 -1.588859
H -3.555361 9.441110 1.243321
H -3.644270 -9.441566 -1.186599
H -4.067766 5.477451 2.947679
H -4.202445 -5.457183 -2.827094
H -4.804111 7.878963 2.777421
H -4.953288 -7.853246 -2.642260


