%chk=000003824.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000003824

0 1
 O   0.6040000      -2.967900      0.2567000    
 O    1.653200       1.201900       2.197600    
 O    5.331100      -1.003300     -0.5648000    
 N  -0.4881000     -0.8527000      0.3198000    
 N  -0.1183000      0.4233000      0.8104000    
 C    1.531800      -1.090400       1.454200    
 C    2.924700      -1.147100      0.8535000    
 C   0.5276000      -1.788300      0.5673000    
 C    1.045100      0.3330000       1.590100    
 C    2.981700     -0.4353000     -0.4950000    
 C   -1.828000      -1.238600      1.2800000E-02
 C  -0.5689000       1.659100      0.2543000    
 C    4.373500     -0.4492000      -1.102300    
 C   -2.076000      -2.442300     -0.6507000    
 C  -0.2984000       2.862800      0.9094000    
 C   -2.895600     -0.4143000      0.3753000    
 C   -1.281300       1.669300     -0.9472000    
 C    4.528600      0.2625000      -2.421400    
 C   -3.384900      -2.819800     -0.9505000    
 C  -0.7381000       4.069900      0.3662000    
 C   -4.204500     -0.7919000      7.5599998E-02
 C   -1.720900       2.876700      -1.490300    
 C   -4.449100      -1.994600     -0.5873000    
 C   -1.449200       4.076900     -0.8336000    
 H    1.504600      -1.560000       2.443500    
 H    3.239900      -2.191100      0.7322000    
 H    3.641800     -0.6814000       1.541300    
 H    2.311700     -0.9142000      -1.217000    
 H    2.695800      0.6172000     -0.3972000    
 H   -1.286400      -3.097300     -0.9995000    
 H   0.2044000       2.913700       1.867900    
 H   -2.770800      0.4891000      0.9627000    
 H   -1.447400      0.7789000      -1.543800    
 H    4.277600       1.318900      -2.299600    
 H    3.873700     -0.1980000      -3.165200    
 H    5.563800      0.1824000      -2.764500    
 H   -3.575700      -3.751100      -1.475700    
 H  -0.5364000       5.004100      0.8823000    
 H   -5.034900     -0.1585000      0.3739000    
 H   -2.258500       2.884600      -2.434100    
 H   -5.468400      -2.289300     -0.8191000    
 H   -1.790000       5.017000      -1.257500    


%chk=000003824-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000003824

0 1
O 0.513221 -2.955749 0.217275
O 1.701904 1.416476 1.946324
O 5.499600 -1.363215 -0.527054
N -0.508230 -0.815005 0.280082
N -0.160762 0.488185 0.809454
C 1.590258 -1.017563 1.377647
C 3.036480 -1.130311 0.832582
C 0.528871 -1.744920 0.550086
C 1.095497 0.426910 1.465437
C 3.204797 -0.525581 -0.572689
C -1.885085 -1.163959 0.044648
C -0.709943 1.682249 0.220056
C 4.630022 -0.670475 -1.118372
C -2.176695 -2.206008 -0.871352
C -0.749134 2.865081 0.999564
C -2.929578 -0.500054 0.735807
C -1.173453 1.686079 -1.119500
C 4.942638 0.082988 -2.405677
C -3.520313 -2.582468 -1.083316
C -1.246236 4.054417 0.425154
C -4.267518 -0.878688 0.499358
C -1.682505 2.879890 -1.672484
C -4.570837 -1.920370 -0.407490
C -1.719395 4.068397 -0.907173
H 1.574947 -1.472233 2.388777
H 3.322296 -2.196105 0.816040
H 3.715002 -0.620764 1.538830
H 2.522985 -1.019996 -1.297457
H 2.935810 0.550597 -0.585008
H -1.363630 -2.722509 -1.385633
H -0.379254 2.852253 2.027065
H -2.700419 0.297487 1.447953
H -1.139608 0.771274 -1.717790
H 5.117510 1.151011 -2.168369
H 4.098356 0.042578 -3.117301
H 5.853546 -0.321118 -2.874235
H -3.743182 -3.393873 -1.784472
H -1.268563 4.969838 1.026043
H -5.072953 -0.360651 1.031072
H -2.046630 2.879930 -2.705573
H -5.611507 -2.211810 -0.584470
H -2.113512 4.992482 -1.343144


