%chk=000023821.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000023821

0 1
 O   0.6986000      -2.302600       1.093700    
 O   0.7350000       2.271800       1.111100    
 O   -2.823200      1.8900000E-02 -0.8701000    
 N   -1.046600      -1.193100      9.7000003E-03
 N   -1.033800       1.194800      3.1300001E-02
 C    1.028200     -1.5400000E-02  0.5316000    
 C    1.843900     -1.4000000E-02 -0.7592000    
 C   0.2180000      -1.281300      0.6001000    
 C   0.2357000       1.261000      0.6144000    
 C    2.653500       1.274700     -0.8797000    
 C    2.761400      -1.232800     -0.8146000    
 C   -1.710100      7.3000002E-03 -0.3329000    
 C   -1.791800      -2.432000     -0.1878000    
 C   -1.768800       2.442700     -0.1476000    
 H    1.692100     -2.2900000E-02   1.407700    
 H    1.176400     -6.4800002E-02  -1.630300    
 H    3.246400       1.465800      2.1299999E-02
 H    3.351100       1.211500      -1.722900    
 H    2.018800       2.144200      -1.076900    
 H    3.375700      -1.316100      8.8600002E-02
 H    3.441900      -1.163900      -1.671000    
 H    2.200700      -2.163600     -0.9427000    
 H   -2.603400      -2.465700      0.5459000    
 H   -1.157900      -3.314200     -6.8099998E-02
 H   -2.230500      -2.439200      -1.190500    
 H   -2.172800       2.483600      -1.164100    
 H   -1.138200       3.318900      2.2500001E-02
 H   -2.605600       2.454700      0.5580000    


%chk=000023821-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000023821

0 1
O 0.622571 -2.378432 1.126565
O 0.661655 2.299080 1.218868
O -2.807610 0.031982 -0.929157
N -1.068759 -1.208744 0.016697
N -1.041893 1.208967 0.047675
C 1.043260 -0.030061 0.571344
C 1.884918 -0.025148 -0.783382
C 0.201871 -1.296910 0.637208
C 0.224957 1.248173 0.680623
C 2.676762 1.292894 -0.946818
C 2.844758 -1.236755 -0.828083
C -1.690880 0.012275 -0.347942
C -1.866196 -2.440653 -0.196218
C -1.811963 2.463831 -0.127684
H 1.761322 -0.047362 1.408033
H 1.161124 -0.109902 -1.620936
H 3.351989 1.457732 -0.087403
H 3.294198 1.235830 -1.861604
H 2.023262 2.177405 -1.029586
H 3.599666 -1.163854 -0.023192
H 3.379548 -1.248471 -1.795138
H 2.322469 -2.200152 -0.708763
H -2.803562 -2.395947 0.381795
H -1.255190 -3.289310 0.143222
H -2.118915 -2.541584 -1.263546
H -2.067093 2.598741 -1.190606
H -1.180099 3.288785 0.231598
H -2.747469 2.425890 0.453931


