%chk=000063228.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000063228

0 1
 O    2.643300       2.310700     -0.2016000    
 O   -5.480400     -0.7012000      0.2653000    
 N   0.6794000       1.055500      1.1800000E-02
 N   0.8037000      -1.325400      8.6199999E-02
 C  -0.1457000       2.264600      6.2100001E-02
 C   0.1135000     -0.2271000      7.2800003E-02
 C    2.067900       1.231200     -9.4700001E-02
 C    2.865800     -1.3200000E-02 -7.5499997E-02
 C   4.3699998E-02   3.055400      -1.225600    
 C   0.2376000       3.091500       1.282500    
 C    2.200000      -1.237500      2.1500001E-02
 C   -1.355100     -0.3521000      0.1233000    
 C    4.262600      3.7999999E-02 -0.1474000    
 C    2.953700      -2.416700      4.6000000E-02
 C   -2.003200     -0.3717000       1.353600    
 C   -2.079800     -0.4484000      -1.059800    
 C    5.000000      -1.144800     -0.1219000    
 C    4.346700      -2.371200     -2.5000000E-02
 C   -3.392300     -0.4891000       1.401400    
 C   -3.468900     -0.5658000      -1.012100    
 C   -4.125200     -0.5863000      0.2186000    
 C   -6.167600     -0.7964000     -0.9816000    
 H   -1.207000       2.027200      0.1480000    
 H  -0.7036000       3.855700      -1.279500    
 H    1.018000       3.541900      -1.315900    
 H  -9.7999997E-02   2.416200      -2.104300    
 H   0.2030000       2.482900       2.193200    
 H  -0.4740000       3.915400       1.410900    
 H    1.229700       3.545900       1.221400    
 H    4.791000      0.9844000     -0.2217000    
 H    2.457500      -3.381700      0.1194000    
 H   -1.440700     -0.2953000       2.280300    
 H   -1.576000     -0.4318000      -2.022600    
 H    6.084200      -1.110000     -0.1771000    
 H    4.921200      -3.292800     -5.4000001E-03
 H   -3.897900     -0.5040000       2.363000    
 H   -3.975900     -0.6366000      -1.968300    
 H   -6.038800      0.1105000      -1.582200    
 H   -7.235700     -0.8815000     -0.7564000    
 H   -5.883300      -1.701100      -1.529600    


%chk=000063228-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000063228

0 1
O 2.687246 2.320333 -0.639131
O -5.499168 -1.176483 0.204403
N 0.734671 1.085998 -0.157835
N 0.848260 -1.277312 0.359750
C -0.069007 2.370107 -0.107253
C 0.142043 -0.175873 0.110534
C 2.155766 1.207435 -0.336712
C 2.926698 -0.025253 -0.098104
C -0.077538 3.109456 -1.464090
C 0.407213 3.270543 1.056535
C 2.244977 -1.219023 0.294377
C -1.342577 -0.340860 0.106001
C 4.341778 -0.013433 -0.210659
C 3.001537 -2.390181 0.585626
C -1.936061 -1.143624 1.120319
C -2.175890 0.167527 -0.922076
C 5.076054 -1.175805 0.074648
C 4.400756 -2.364765 0.477787
C -3.315654 -1.395300 1.129675
C -3.563365 -0.090186 -0.936003
C -4.138748 -0.865815 0.102025
C -6.395988 -0.669767 -0.839119
H -1.096640 2.050713 0.125598
H -0.798180 3.946468 -1.416311
H 0.921596 3.507933 -1.695699
H -0.383810 2.440122 -2.288497
H 0.384225 2.721231 2.014995
H -0.277562 4.134084 1.141409
H 1.426691 3.646299 0.881473
H 4.828878 0.919427 -0.512381
H 2.459713 -3.294269 0.879316
H -1.290099 -1.575498 1.890361
H -1.740294 0.741694 -1.746877
H 6.167921 -1.171177 -0.009886
H 4.980060 -3.267908 0.700054
H -3.779596 -2.002512 1.912434
H -4.172849 0.304434 -1.754083
H -6.387951 0.436918 -0.872868
H -7.396602 -1.025046 -0.553631
H -6.125105 -1.075333 -1.833001


