%chk=000028692.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000028692

0 1
 O  -0.5625000      -2.236600      0.4446000    
 N  -0.4093000      8.0799997E-02  0.3499000    
 N   -4.739800     -0.5329000      0.1475000    
 C   -1.848400      0.2433000      0.5530000    
 C   -2.585100      0.2589000     -0.7860000    
 C   0.4085000       1.248000      0.1948000    
 C    1.799400       1.106400      9.9999997E-05
 C    2.396700     -0.2429000     -4.4100001E-02
 C   -4.096900      0.4811000     -0.6794000    
 C    1.576100      -1.371000      0.1090000    
 C   0.1157000      -1.217400      0.3151000    
 C  -0.1597000       2.538300      0.2347000    
 C    2.567800       2.281800     -0.1464000    
 C    3.774000     -0.4758000     -0.2361000    
 C    2.110200      -2.671500      7.1500003E-02
 C   0.6248000       3.679400      8.6599998E-02
 C    1.989900       3.551300     -0.1039000    
 C    4.306000      -1.768500     -0.2735000    
 C    3.473600      -2.867100     -0.1197000    
 C   -4.581600      -1.860700     -0.4485000    
 C   -6.159400     -0.2249000      0.3309000    
 H   -2.199800     -0.6167000       1.136500    
 H   -2.081700       1.106500       1.182400    
 H   -2.359700     -0.6511000      -1.354900    
 H   -2.182900       1.074000      -1.402300    
 H   -4.530700      0.5101000      -1.687500    
 H   -4.258000       1.472400     -0.2361000    
 H   -1.223800       2.709500      0.3578000    
 H    3.642600       2.244600     -0.2990000    
 H    4.478200      0.3414000     -0.3631000    
 H    1.477300      -3.547300      0.1896000    
 H   0.1669000       4.663600      0.1153000    
 H    2.610200       4.434800     -0.2216000    
 H    5.372400      -1.910600     -0.4234000    
 H    3.882900      -3.872100     -0.1483000    
 H   -4.940700      -1.898200      -1.483500    
 H   -5.144300      -2.605100      0.1278000    
 H   -3.542600      -2.201900     -0.4209000    
 H   -6.630900     -0.9599000      0.9927000    
 H   -6.706100     -0.2139000     -0.6191000    
 H   -6.282600      0.7520000      0.8118000    


%chk=000028692-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000028692

0 1
O -0.798539 -2.113292 0.131180
N -0.426803 0.190296 0.241070
N -4.699158 -0.602150 0.154182
C -1.894916 0.348401 0.426180
C -2.651539 0.423884 -0.917740
C 0.428805 1.313768 0.134718
C 1.849793 1.130772 0.022855
C 2.397231 -0.233480 -0.010957
C -4.181340 0.477184 -0.719252
C 1.494547 -1.339543 0.028113
C 0.030071 -1.143773 0.128215
C -0.106825 2.634489 0.133237
C 2.675064 2.286251 -0.062294
C 3.793278 -0.514515 -0.093448
C 1.977594 -2.674020 -0.021440
C 0.737475 3.753680 0.048395
C 2.140621 3.584226 -0.045227
C 4.264236 -1.836806 -0.137809
C 3.354910 -2.928138 -0.103044
C -4.429343 -1.961677 -0.365198
C -6.126129 -0.402321 0.473806
H -2.254195 -0.532556 0.978997
H -2.091222 1.233781 1.053317
H -2.373296 -0.457151 -1.523587
H -2.342698 1.318647 -1.493115
H -4.667525 0.460226 -1.731469
H -4.458351 1.442783 -0.249625
H -1.185847 2.792331 0.186812
H 3.759027 2.165035 -0.146621
H 4.519186 0.303395 -0.121832
H 1.239835 -3.481953 0.009095
H 0.301888 4.758709 0.048889
H 2.801528 4.454219 -0.111426
H 5.341688 -2.026112 -0.199886
H 3.727827 -3.957065 -0.137888
H -4.877113 -2.138486 -1.376791
H -4.856464 -2.704880 0.331405
H -3.343442 -2.147964 -0.420422
H -6.456239 -1.170958 1.195235
H -6.796044 -0.462346 -0.422715
H -6.270878 0.589211 0.940385


