%chk=000004472.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000004472

0 1
 O   -1.944900      0.7227000      -1.525800    
 O    3.234200     -0.5399000       1.959200    
 N   -3.268000       1.662000      0.1334000    
 N    1.522100       1.325400      0.8438000    
 N    2.734500      0.9719000      0.2713000    
 N    7.217900     -0.8637000     -0.9873000    
 C  -0.8964000       1.513900      0.5087000    
 C   0.4321000       1.061000     -8.7300003E-02
 C   -4.524700       1.514200     -0.5610000    
 C   -2.066600       1.245200     -0.4211000    
 C   -5.184100      0.2003000     -0.2558000    
 C   -4.910100     -0.9072000      -1.049800    
 C   -6.061600      0.1043000      0.8179000    
 C   -5.522300      -2.128000     -0.7663000    
 C   -6.673900      -1.116600       1.101400    
 C    3.520600      2.7400000E-02  0.9077000    
 C   -6.404100      -2.232700      0.3092000    
 C    4.813800     -0.2841000      0.2449000    
 C    5.863600     -0.7318000       1.011000    
 C    4.922400     -0.1158000      -1.114900    
 C    7.047200      -1.008500      0.3459000    
 C    6.148300     -0.4200000      -1.684900    
 H  -0.8705000       2.590200      0.7203000    
 H   -1.085500      0.9891000       1.453600    
 H   0.6031000       1.585300      -1.036600    
 H   0.3851000     -1.2200000E-02 -0.3119000    
 H   -4.363900       1.620100      -1.640600    
 H   -5.168200       2.347200     -0.2556000    
 H   -3.277500       2.069200       1.064200    
 H    1.568800       2.324100       1.043600    
 H   -4.228900     -0.8388000      -1.893100    
 H   -6.277500      0.9666000       1.442600    
 H    3.025400       1.485600     -0.5541000    
 H   -5.313200      -2.996800      -1.383600    
 H   -7.360200      -1.198500       1.939200    
 H   -6.880900      -3.183300      0.5300000    
 H    5.796600     -0.8656000       2.084400    
 H    4.111500      0.2049000      -1.757100    
 H    7.918200      -1.364200      0.8867000    
 H    6.304600     -0.3184000      -2.753900    


%chk=000004472-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000004472

0 1
O -2.080247 2.348416 -1.417154
O 3.288948 -0.085168 2.102294
N -3.218210 1.553034 0.453685
N 1.621426 1.770461 0.721267
N 2.797932 1.202729 0.196914
N 6.977077 -1.484382 -1.148402
C -0.818941 2.082425 0.673583
C 0.403608 1.523154 -0.083307
C -4.524813 1.446165 -0.221150
C -2.081020 2.006902 -0.192909
C -5.135299 0.052993 -0.114103
C -4.375284 -1.096543 -0.451952
C -6.479932 -0.111830 0.299469
C -4.950348 -2.383614 -0.378900
C -7.059761 -1.399766 0.370029
C 3.537062 0.258041 0.914317
C -6.295933 -2.539635 0.031980
C 4.713384 -0.317409 0.150063
C 5.816909 -0.798097 0.896884
C 4.757314 -0.452777 -1.261418
C 6.916055 -1.360469 0.213473
C 5.898567 -1.037794 -1.857313
H -0.643405 3.152963 0.907563
H -0.935128 1.550715 1.634998
H 0.432768 1.983802 -1.096708
H 0.302375 0.430759 -0.210939
H -4.331262 1.719164 -1.275969
H -5.225964 2.197469 0.191869
H -3.153803 1.258771 1.429993
H 1.756009 2.752591 0.998624
H -3.334546 -0.977014 -0.775825
H -7.076704 0.769665 0.566362
H 3.130326 1.491677 -0.733217
H -4.354076 -3.263797 -0.644635
H -8.101295 -1.512848 0.691174
H -6.742338 -3.538630 0.088541
H 5.793182 -0.736203 1.988846
H 3.917310 -0.154219 -1.898730
H 7.787263 -1.733015 0.763275
H 5.957796 -1.164185 -2.944269


