%chk=000022764.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000022764

0 1
 O   -5.328000     -0.9401000     -0.1534000    
 O   -3.671600      -2.366600     -0.3539000    
 O    5.448400      0.4572000     -0.4678000    
 O    5.081800      -1.545900      0.3522000    
 N   -4.100900      -1.199500     -0.1866000    
 N    4.667900     -0.4297000     -4.4700000E-02
 C  -0.8851000      0.6389000      8.9299999E-02
 C   0.5352000      0.3651000      5.3100001E-02
 C   -1.799600     -0.4030000     -6.4000003E-02
 C    1.420800       1.335400     -0.4157000    
 C    1.018800     -0.8687000      0.4886000    
 C   -1.339300       1.944300      0.2758000    
 C   -3.169000     -0.1393000     -3.0700000E-02
 C    3.273900     -0.1619000     -1.3600000E-02
 C    2.790100       1.071800     -0.4491000    
 C    2.388200      -1.132300      0.4552000    
 C   -2.708500       2.208100      0.3092000    
 C   -3.623300       1.166300      0.1561000    
 H   -1.455100      -1.417800     -0.2454000    
 H    1.087600       2.298300     -0.7931000    
 H   0.3719000      -1.642300      0.8931000    
 H  -0.6653000       2.782500      0.4301000    
 H    3.450500       1.848600     -0.8265000    
 H    2.730300      -2.101400      0.8096000    
 H   -3.062600       3.223500      0.4615000    
 H   -4.682400       1.409000      0.1892000    


%chk=000022764-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000022764

0 1
O -5.451706 -0.932662 -0.186444
O -3.721646 -2.404633 -0.402002
O 5.561302 0.476487 -0.512469
O 5.188784 -1.591734 0.379542
N -4.193124 -1.216370 -0.219629
N 4.780703 -0.444222 -0.051228
C -0.906592 0.648299 0.096382
C 0.556039 0.366614 0.058819
C -1.848535 -0.398095 -0.071931
C 1.471787 1.335092 -0.441906
C 1.071455 -0.877538 0.520745
C -1.396213 1.969746 0.302281
C -3.224359 -0.103654 -0.033332
C 3.325474 -0.165667 -0.013734
C 2.853223 1.079122 -0.482269
C 2.449547 -1.151921 0.488648
C -2.780349 2.240393 0.337954
C -3.718613 1.202163 0.168574
H -1.538829 -1.428699 -0.264819
H 1.097542 2.285012 -0.836614
H 0.391549 -1.626624 0.938748
H -0.688032 2.787910 0.468862
H 3.564741 1.810743 -0.873332
H 2.856955 -2.099812 0.849113
H -3.129383 3.263645 0.507581
H -4.797018 1.376906 0.190959


