%chk=000095490.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000095490

0 1
 O    3.752900       1.322700      0.3967000    
 N    1.287500      -1.116800      3.6300000E-02
 N    2.599000     -0.7004000      0.2118000    
 C   0.5857000      5.0700001E-02 -0.5362000    
 C    1.356500       1.245700      4.0700000E-02
 C  -0.8913000      9.4499998E-02 -0.2174000    
 C    2.732100      0.6748000      0.2273000    
 C    1.219400      -2.284000     -0.8381000    
 C   -1.373300     -0.5062000      0.9465000    
 C   -1.775300      0.7353000      -1.086600    
 C   -2.736300     -0.4663000       1.240500    
 C   -3.138200      0.7754000     -0.7926000    
 C   -3.618700      0.1745000      0.3709000    
 H   0.7200000      5.7500001E-02  -1.628800    
 H   0.9777000       1.574200       1.014700    
 H    1.381000       2.087700     -0.6568000    
 H    3.357100      -1.361000      0.3390000    
 H    1.675600      -2.099700      -1.817900    
 H   0.1808000      -2.594800     -0.9938000    
 H    1.738000      -3.132800     -0.3778000    
 H  -0.7115000     -0.9999000       1.652500    
 H   -1.413100       1.208600      -1.995300    
 H   -3.110200     -0.9308000       2.148200    
 H   -3.825300       1.274900      -1.469300    
 H   -4.679800      0.2066000      0.6003000    


%chk=000095490-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000095490

0 1
O 3.882099 1.259346 0.627607
N 1.294438 -1.146780 -0.031363
N 2.688624 -0.702572 0.084453
C 0.599027 0.103389 -0.533161
C 1.407722 1.248812 0.131816
C -0.888689 0.087437 -0.221367
C 2.819340 0.662706 0.301033
C 1.176621 -2.280154 -0.982339
C -1.362973 -0.372122 1.033964
C -1.817849 0.578939 -1.170896
C -2.742307 -0.334036 1.332996
C -3.198331 0.623915 -0.870308
C -3.664595 0.167709 0.383879
H 0.743787 0.181443 -1.637773
H 1.013838 1.493190 1.135843
H 1.420630 2.173488 -0.464121
H 3.374356 -1.381800 0.420883
H 1.591332 -2.044943 -1.988691
H 0.105300 -2.523556 -1.076539
H 1.693633 -3.166866 -0.576217
H -0.643219 -0.774987 1.754745
H -1.460906 0.928242 -2.148264
H -3.099904 -0.696101 2.303665
H -3.906976 1.007743 -1.612757
H -4.734698 0.197960 0.617712


