%chk=000004418.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000004418

0 1
 O   -2.707300       4.069700     -0.8202000    
 O   -3.485400       1.535200      1.7700000E-02
 O    4.579100     -0.1462000      -1.646300    
 N   1.6700000E-02   1.585700     -0.4203000    
 N    2.580000      0.5099000      0.2364000    
 C   0.7711000      0.8076000      -1.410900    
 C   0.9431000       2.340200      0.4325000    
 C    1.715400     -0.1835000     -0.7267000    
 C    1.894400       1.400600       1.177700    
 C  -0.9211000       2.489900      -1.084800    
 C   -1.800900       3.243300     -8.4299996E-02
 C    3.774600     -0.1130000      0.6149000    
 C   -2.611500       2.320300      0.8230000    
 C    4.770600     -0.4389000     -0.3289000    
 C    4.015800     -0.4343000       1.966200    
 C    5.957000      -1.059300      6.2600002E-02
 C    5.202200      -1.054900       2.357500    
 C    6.172700      -1.367400       1.405800    
 C   -3.790900      0.2836000      0.4815000    
 C   -3.480800     -0.8639000     -0.2633000    
 C   -3.817400      -2.135800      0.2579000    
 C   -4.422400      0.1847000       1.719900    
 C    5.625400     -0.5024000      -2.547300    
 C   -2.844800     -0.7801000      -1.512600    
 C   -4.453200      -2.219800       1.507500    
 C   -4.753200      -1.066200       2.232600    
 C   -3.508100      -3.286500     -0.4853000    
 C   -2.545100      -1.933800      -2.237700    
 C   -2.876300      -3.184700      -1.725100    
 H   8.3700001E-02  0.2398000      -2.048400    
 H    1.350100       1.471600      -2.066900    
 H    1.525300       3.056400     -0.1629000    
 H   0.4194000       2.905900       1.208300    
 H    2.275500     -0.7139000      -1.502400    
 H    1.129600     -0.9434000     -0.1922000    
 H    2.618900       2.015000       1.726700    
 H    1.328800      0.8074000       1.907900    
 H   -1.558000       1.954200      -1.793400    
 H  -0.3842000       3.224600      -1.702200    
 H   -1.208800       3.932400      0.5248000    
 H   -1.950600       1.694100       1.434600    
 H   -3.233100       2.924100       1.494700    
 H    3.278800     -0.2196000       2.736000    
 H   -3.247700       4.559000     -0.1766000    
 H    6.755600      -1.332400     -0.6183000    
 H    5.369400      -1.297800       3.402900    
 H    7.095700      -1.851400       1.711900    
 H   -4.672700       1.073000       2.293400    
 H    5.778500      -1.586400      -2.580700    
 H    5.304400     -0.1973000      -3.548900    
 H    6.549400      4.4399999E-02  -2.330700    
 H   -2.604900      0.1747000      -1.963200    
 H   -4.721500      -3.187100       1.927300    
 H   -5.247300      -1.145000       3.196600    
 H   -3.757900      -4.274600     -0.1042000    
 H   -2.060200      -1.854700      -3.206400    
 H   -2.644300      -4.082300      -2.290900    


%chk=000004418-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000004418

0 1
O -2.759339 3.505215 -0.551127
O -3.055410 0.756998 -0.151200
O 4.918929 -0.629834 -1.115697
N 0.553581 1.711635 -0.146907
N 3.286540 0.988976 0.485149
C 1.244627 0.628330 -0.890908
C 1.537815 2.730108 0.290290
C 2.315214 -0.025710 -0.004207
C 2.618881 2.102013 1.188268
C -0.610279 2.291468 -0.857679
C -1.717834 2.726887 0.135157
C 4.555044 0.563003 0.959900
C -2.329385 1.534019 0.877612
C 5.415222 -0.266705 0.155833
C 5.064582 0.987409 2.219378
C 6.689243 -0.655824 0.621412
C 6.350649 0.616561 2.672353
C 7.165089 -0.214206 1.879291
C -3.737043 -0.402926 0.248797
C -4.423263 -1.105531 -0.809098
C -5.155011 -2.308682 -0.472873
C -3.768777 -0.872938 1.567078
C 5.802755 -1.394106 -1.996075
C -4.400576 -0.653304 -2.167584
C -5.176615 -2.770440 0.886190
C -4.495625 -2.064581 1.877038
C -5.841509 -3.009312 -1.519406
C -5.080312 -1.360301 -3.163843
C -5.807936 -2.547673 -2.837316
H 0.498969 -0.135131 -1.178962
H 1.733306 1.011985 -1.820436
H 2.036052 3.211277 -0.588647
H 1.018326 3.523577 0.859137
H 2.857653 -0.788571 -0.580335
H 1.812657 -0.515348 0.862385
H 3.367600 2.876638 1.431983
H 2.143184 1.762566 2.139795
H -1.031706 1.527793 -1.537713
H -0.339416 3.176567 -1.477854
H -1.294297 3.421455 0.882818
H -1.526241 0.919428 1.326353
H -3.046133 1.875875 1.649012
H 4.436634 1.604833 2.868379
H -3.346315 2.856699 -1.021248
H 7.331091 -1.288214 0.000577
H 6.701241 0.967531 3.649065
H 8.159593 -0.517805 2.222496
H -3.245310 -0.343939 2.367710
H 6.043242 -2.387415 -1.568750
H 5.235703 -1.520995 -2.930479
H 6.740768 -0.842290 -2.200603
H -3.838593 0.252584 -2.412274
H -5.733227 -3.681666 1.131830
H -4.510745 -2.417229 2.914048
H -6.396955 -3.919846 -1.264842
H -5.057097 -1.006767 -4.200508
H -6.337640 -3.093442 -3.625965


