%chk=000005775.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005775

0 1
 O   -4.245400      -2.304100      0.1576000    
 N  -0.2315000      0.2729000     -0.5069000    
 N    2.425400       2.052100     -0.4443000    
 N   0.5801000       3.260700      0.1156000    
 C   0.2260000       1.333700      -1.359200    
 C    1.079500       2.239800     -0.5339000    
 C    3.010800       3.073900      0.3697000    
 C    1.767600       3.873500      0.7874000    
 C   0.7076000     -0.7762000     -0.2439000    
 C   -1.625900      0.2016000     -0.1788000    
 C   0.9200000      -1.749500      -1.204500    
 C    1.380900     -0.7919000      0.9651000    
 C   -2.254300      -1.030600     -0.1733000    
 C   -2.307400       1.366400      0.1248000    
 C    2.522800      -2.802600      0.2649000    
 C    1.834900      -2.770700     -0.9481000    
 C    2.295700      -1.813200       1.221500    
 C   -3.610100      -1.100500      0.1467000    
 C   -3.663200       1.296300      0.4447000    
 C   -4.314500      6.3000001E-02  0.4557000    
 C    3.500700      -3.894700      0.5392000    
 H   0.8187000      0.9508000      -2.200100    
 H  -0.5857000       1.916900      -1.810500    
 H    3.707800       3.690100     -0.2057000    
 H    3.528500       2.652500       1.236100    
 H    1.626300       3.838100       1.873000    
 H    1.857300       4.922800      0.4873000    
 H    2.959200       1.323000     -0.9012000    
 H   0.3898000      -1.733000      -2.152500    
 H    1.207800     -2.6900001E-02   1.716900    
 H   -1.734400      -1.951800     -0.4156000    
 H   -1.832700       2.339800      0.1388000    
 H    2.001700      -3.536700      -1.700800    
 H    2.823700      -1.828300       2.171300    
 H   -4.211400       2.201800      0.6883000    
 H   -5.370900      2.2200000E-02  0.7074000    
 H    4.306600      -3.547900       1.194900    
 H    2.996200      -4.738700       1.019700    
 H    3.969900      -4.246600     -0.3859000    
 H   -5.177300      -2.166200      0.3998000    


%chk=000005775-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000005775

0 1
O -4.005261 -2.098258 1.210673
N -0.187278 0.108173 -0.824469
N 1.997995 1.999538 0.144514
N 0.689442 3.615580 -0.848309
C 0.319197 1.260343 -1.604858
C 0.986632 2.333184 -0.758029
C 2.387186 3.208034 0.908833
C 1.623664 4.325616 0.099994
C 0.720327 -0.969692 -0.544932
C -1.463369 0.204658 -0.200028
C 1.487182 -1.563234 -1.582991
C 0.911041 -1.441587 0.784485
C -2.134673 -0.972338 0.233174
C -2.117905 1.466073 -0.058151
C 2.604064 -3.070162 0.022737
C 2.415891 -2.585920 -1.297126
C 1.829825 -2.476571 1.053896
C -3.415440 -0.881430 0.807951
C -3.408157 1.524390 0.507519
C -4.075166 0.363904 0.954945
C 3.572391 -4.202161 0.317525
H 1.053334 0.891059 -2.341357
H -0.500995 1.737487 -2.163837
H 3.481547 3.357704 0.905813
H 2.043395 3.147736 1.961198
H 1.046505 4.998487 0.757096
H 2.322635 4.948229 -0.489648
H 2.200338 1.045652 0.443036
H 1.343582 -1.239523 -2.619917
H 0.328885 -0.999734 1.599756
H -1.687044 -1.961565 0.110183
H -1.623889 2.393387 -0.360697
H 2.992988 -3.026698 -2.119260
H 1.955028 -2.822353 2.087528
H -3.897019 2.499390 0.612487
H -5.074468 0.425817 1.403510
H 3.998271 -4.117479 1.333152
H 3.066996 -5.185885 0.256282
H 4.409473 -4.219239 -0.402604
H -4.916348 -1.938812 1.561127


