%chk=000018969.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000018969

0 1
 O  -0.9706000     -6.3199997E-02  0.1497000    
 O    3.045400     -0.4568000      0.1549000    
 O   -3.352300      -3.294600     -0.5248000    
 O    1.383000      0.7835000       1.133500    
 N    6.238200       1.357200     -6.3600004E-02
 C  -0.4343000      -1.322600      0.1369000    
 C   -1.198600      -2.463000     -8.7800004E-02
 C   -3.191500     -0.9298000     -0.3050000    
 C   -2.329900      7.9800002E-02 -6.7400001E-02
 C   0.9381000      -1.433700      0.3627000    
 C   -2.642900      -2.316700     -0.3243000    
 C   -2.750600       1.486700     -1.6799999E-02
 C  -0.5974000      -3.724600     -8.8299997E-02
 C    5.320200      0.2515000     -0.2088000    
 C    1.542100      -2.691000      0.3624000    
 C    3.955100      0.6344000      0.3371000    
 C   0.7753000      -3.834600      0.1372000    
 C   -4.664900     -0.8084000     -0.5669000    
 C    1.765300     -0.2581000      0.6017000    
 C   -3.155500       2.051100       1.193200    
 C   -2.745300       2.259300      -1.178600    
 C    5.746100       2.549200     -0.7667000    
 C    7.574500       1.004400     -0.5607000    
 C   -3.555200       3.386700       1.241300    
 C   -3.144800       3.594900      -1.130400    
 C   -3.549700       4.158500      7.9599999E-02
 H   -1.177200      -4.627000     -0.2609000    
 H    5.680000     -0.6263000      0.3435000    
 H    5.221500     -7.0900001E-02  -1.254200    
 H    2.605400      -2.817400      0.5494000    
 H    3.521300       1.485300     -0.1963000    
 H    4.022100      0.8713000       1.406100    
 H    1.246900      -4.813100      0.1408000    
 H   -5.230400      -1.359600      0.1919000    
 H   -4.910000      -1.223500      -1.550400    
 H   -5.023000      0.2245000     -0.5522000    
 H   -3.164700       1.462400       2.107200    
 H   -2.431900       1.834200      -2.129200    
 H    5.453200       2.334000      -1.800900    
 H    6.524500       3.321900     -0.7969000    
 H    4.910400       3.018900     -0.2391000    
 H    7.567600      0.7760000      -1.632700    
 H    7.964700      0.1326000     -2.3600001E-02
 H    8.280700       1.823000     -0.3835000    
 H   -3.870400       3.825700       2.183400    
 H   -3.140500       4.196100      -2.034800    
 H   -3.860700       5.198400      0.1171000    


%chk=000018969-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000018969

0 1
O -1.138777 -0.114639 -0.082724
O 3.045287 -0.399706 0.180494
O -3.485444 -3.490932 -0.571312
O 1.247237 0.916206 0.855267
N 6.303431 1.449650 0.124903
C -0.527973 -1.360376 -0.063917
C -1.292519 -2.535188 -0.267158
C -3.361322 -1.088275 -0.350751
C -2.539130 0.023823 -0.219772
C 0.885699 -1.406946 0.126549
C -2.767998 -2.443984 -0.416083
C -2.882502 1.463382 -0.158943
C -0.630730 -3.788847 -0.302046
C 5.307336 0.388025 -0.146334
C 1.511801 -2.675277 0.069407
C 3.956572 0.739460 0.489521
C 0.763739 -3.858446 -0.143995
C -4.872304 -1.030737 -0.399707
C 1.682035 -0.178759 0.424288
C -1.974843 2.360186 0.480401
C -4.068378 1.990705 -0.743855
C 6.113239 2.655327 -0.709676
C 7.694224 0.955099 0.064008
C -2.271890 3.734936 0.561628
C -4.354096 3.369383 -0.663572
C -3.464199 4.246777 -0.002534
H -1.247704 -4.680416 -0.454440
H 5.669417 -0.554666 0.302731
H 5.163289 0.197988 -1.239146
H 2.595660 -2.719209 0.203277
H 3.512098 1.665164 0.084853
H 4.048242 0.843405 1.584655
H 1.276047 -4.824795 -0.176975
H -5.263124 -2.012652 -0.084925
H -5.246385 -0.861890 -1.427812
H -5.282427 -0.241583 0.252178
H -1.039012 1.970267 0.892521
H -4.751971 1.338070 -1.290526
H 6.259886 2.457263 -1.802013
H 6.834887 3.432419 -0.401997
H 5.099849 3.068935 -0.571205
H 8.000738 0.607974 -0.955252
H 7.823539 0.113566 0.767199
H 8.385333 1.761415 0.368530
H -1.568493 4.408776 1.062643
H -5.267789 3.758986 -1.125519
H -3.691274 5.316737 0.061936


