%chk=000018514.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000018514

0 1
 O   -2.666200     -0.8005000      0.1631000    
 O    2.667000     -0.7983000     -0.1643000    
 O   -2.751100      -3.350600      0.1712000    
 O    2.754000      -3.348400     -0.1708000    
 O   -5.455700       2.059700     -0.7925000    
 O    5.452800       2.063200      0.7964000    
 N   -2.803300       1.783200      0.1716000    
 N    2.802100       1.785100     -0.1718000    
 C  -0.6972000      0.4858000      4.1400000E-02
 C   0.6967000      0.4864000     -4.3600000E-02
 C   -1.394600       1.699100      8.3899997E-02
 C    1.393100       1.700200     -8.6300001E-02
 C  -0.6961000      -2.060300      4.2500000E-02
 C   0.6978000      -2.059700     -4.3000001E-02
 C   -1.444500     -0.7876000      8.7600000E-02
 C    1.445100     -0.7864000     -8.8900000E-02
 C  -0.6966000       2.906400      4.1000001E-02
 C   0.6941000       2.906900     -4.4000000E-02
 C   -1.392500      -3.274100      8.6000003E-02
 C    1.395200      -3.272900     -8.5400000E-02
 C   -3.502300       3.028000      0.2155000    
 C    3.500200       3.030400     -0.2143000    
 C  -0.6935000      -4.480800      4.3499999E-02
 C   0.6973000      -4.480200     -4.2100001E-02
 C   -4.995900       2.780900      0.3436000    
 C    4.994200       2.784500     -0.3402000    
 H   -1.181500       3.877200      6.9300003E-02
 H    1.178400       3.878000     -7.1999997E-02
 H   -3.332300      0.9203000      0.1843000    
 H    3.315700      0.9233000     -0.3053000    
 H   -3.320400       3.595900     -0.7049000    
 H   -3.185200       3.627500       1.076600    
 H    3.320000       3.594100      0.7091000    
 H    3.183100       3.632800      -1.073400    
 H   -1.217800      -5.432400      7.6300003E-02
 H    1.231700      -5.426100     -7.5000003E-02
 H   -5.546200       3.725100      0.4029000    
 H   -5.226700       2.189900       1.235700    
 H    5.536700       3.733700     -0.3818000    
 H    5.237400       2.207800      -1.238800    
 H   -3.026000      -4.283200      0.1887000    
 H    3.147400      -2.463800     -0.1982000    
 H   -5.267500       2.599700      -1.579000    
 H    4.994900       1.206200      0.8114000    


%chk=000018514-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000018514

0 1
O -2.775876 -0.721860 0.128153
O 2.747925 -0.791053 -0.336557
O -2.790094 -3.361591 0.176142
O 2.805930 -3.259804 -0.314506
O -5.697045 1.820160 -0.311610
O 5.213465 2.301270 1.415151
N -2.799466 1.834153 0.147026
N 2.831270 1.759732 -0.346604
C -0.722688 0.523677 -0.047016
C 0.716507 0.519163 -0.171651
C -1.431620 1.780974 0.003069
C 1.456251 1.761232 -0.250591
C -0.745245 -2.024992 -0.017698
C 0.689938 -2.011078 -0.142229
C -1.483799 -0.739940 0.028113
C 1.418888 -0.749033 -0.218843
C -0.666757 2.997293 -0.107973
C 0.715328 2.990720 -0.230737
C -1.399704 -3.289717 0.054040
C 1.437512 -3.239744 -0.194120
C -3.579259 3.069308 0.184202
C 3.686323 2.947238 -0.448523
C -0.640211 -4.493923 0.002244
C 0.752896 -4.478082 -0.120036
C -5.037337 2.779364 0.580225
C 5.120583 2.588212 -0.018398
H -1.188581 3.958535 -0.107116
H 1.244689 3.942464 -0.327294
H -3.264232 0.895433 0.149019
H 3.229712 0.796552 -0.440840
H -3.557185 3.587136 -0.803178
H -3.159514 3.779579 0.928117
H 3.317916 3.745667 0.222771
H 3.697289 3.351250 -1.485072
H -1.163642 -5.457837 0.059766
H 1.337142 -5.400977 -0.160444
H -5.594283 3.738983 0.629813
H -5.074170 2.295873 1.570309
H 5.784906 3.451999 -0.181385
H 5.497974 1.735768 -0.624739
H -3.072890 -4.312563 0.211221
H 3.098760 -2.254160 -0.352260
H -5.699314 2.173613 -1.237562
H 4.583509 1.567005 1.633601


