%chk=000131331.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000131331

0 1
 O    4.685800      -1.644800      -1.226800    
 O    4.844200       1.223500     -0.6822000    
 O   -6.001300     -0.3614000     -0.5813000    
 O   -1.379400      0.6704000       2.372600    
 C   0.5022000     -0.6512000      0.3446000    
 C    1.962400     -0.6061000     -0.1094000    
 C  -0.3045000      0.4246000     -0.4420000    
 C    2.599600      0.7754000      0.1413000    
 C   -1.808600      0.4561000      4.1000000E-03
 C   0.3762000       1.822400     -0.4404000    
 C    1.883200       1.784900     -0.7502000    
 C    2.962400      -1.600400      0.4790000    
 C  -0.1154000      -2.039300      0.1226000    
 C   -2.380600     -0.9448000      0.1924000    
 C    4.026400      0.4267000     -0.2413000    
 C    4.314600      -1.050200     -3.0000000E-03
 C   -2.639000       1.260400      -1.030200    
 C    2.635800       1.244600       1.606600    
 C   -1.609100      -2.046300      0.2245000    
 C   -3.879800      -1.060800      0.3240000    
 C   -4.154800       1.133100     -0.8655000    
 C   -1.924700       1.107800       1.364800    
 C   -4.595400     -0.3247000     -0.8043000    
 H   0.4702000     -0.4445000       1.418300    
 H    1.959800     -0.7965000      -1.196900    
 H  -0.2921000      9.7800002E-02  -1.494800    
 H   0.2305000       2.314100      0.5274000    
 H  -0.1046000       2.467800      -1.184500    
 H    2.028900       1.528500      -1.807700    
 H    2.310800       2.786900     -0.6230000    
 H    2.781600      -2.618500      0.1198000    
 H    2.908600      -1.604900       1.573000    
 H   0.2902000      -2.734500      0.8675000    
 H   0.1604000      -2.433200     -0.8634000    
 H    5.096100      -1.191700      0.7482000    
 H   -2.384100      0.9205000      -2.043200    
 H   -2.384000       2.326400     -0.9861000    
 H    1.639200       1.350700       2.043000    
 H    3.204400      0.5641000       2.249600    
 H    3.129700       2.221200       1.678900    
 H   -2.072900      -3.023600      0.3334000    
 H   -4.208800      -2.107800      0.3314000    
 H   -4.191800     -0.6557000       1.295700    
 H   -4.483000       1.663400      3.7700001E-02
 H   -4.662000       1.637400      -1.697400    
 H   -2.523400       2.032800       1.423100    
 H   -4.399200     -0.8172000      -1.763900    
 H    5.547800      -1.274300      -1.482400    
 H   -6.182500      6.3100003E-02  0.2747000    


%chk=000131331-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000131331

0 1
O 4.947834 -1.732257 -1.005265
O 4.863754 1.162708 -0.945678
O -6.141601 -0.355754 -0.502010
O -1.792772 0.716771 2.455319
C 0.494616 -0.683537 0.321436
C 1.972169 -0.623886 -0.106790
C -0.300902 0.409598 -0.460972
C 2.618827 0.783014 0.108560
C -1.825338 0.438774 -0.019684
C 0.367517 1.818742 -0.395437
C 1.875254 1.813765 -0.761742
C 2.996163 -1.624245 0.500063
C -0.104328 -2.079699 0.036741
C -2.393475 -0.978712 0.141719
C 4.057648 0.457281 -0.291184
C 4.370792 -1.011069 0.137477
C -2.665661 1.217184 -1.084856
C 2.671132 1.225676 1.606536
C -1.612618 -2.090124 0.130165
C -3.900919 -1.071802 0.336105
C -4.186579 1.168527 -0.811504
C -1.914619 1.214951 1.312595
C -4.688334 -0.285613 -0.737337
H 0.399973 -0.487493 1.408725
H 1.988420 -0.797585 -1.208202
H -0.305454 0.092962 -1.529005
H 0.256738 2.241775 0.621860
H -0.159551 2.511990 -1.077554
H 2.005592 1.549032 -1.829992
H 2.299636 2.826709 -0.630427
H 2.917336 -2.635251 0.068106
H 2.876420 -1.710283 1.595253
H 0.311080 -2.818112 0.750896
H 0.215325 -2.427028 -0.971262
H 5.087726 -1.012683 0.985860
H -2.459306 0.775252 -2.079871
H -2.334773 2.272896 -1.129909
H 1.659545 1.340658 2.029491
H 3.210990 0.500604 2.240987
H 3.189666 2.198019 1.687590
H -2.098653 -3.072770 0.217811
H -4.226422 -2.127118 0.333764
H -4.168503 -0.651306 1.331847
H -4.417539 1.678515 0.149461
H -4.736931 1.709861 -1.602673
H -2.079025 2.320199 1.195938
H -4.567817 -0.771386 -1.722552
H 5.628406 -1.137545 -1.421735
H -6.331442 0.011994 0.399637


