%chk=000161885.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000161885

0 1
 O    2.441000      -1.673500       1.608700    
 O  -0.2872000      -3.855600      0.8539000    
 O   -3.825000     -0.1740000      -1.699900    
 O    5.587000     -0.3975000      -1.543300    
 O    6.388800       1.716100      -1.738000    
 C    1.055400     -0.7073000     -0.1769000    
 C  -0.1936000      -1.508600      0.2293000    
 C    2.195000      -1.655900      0.2076000    
 C   0.1607000      -2.957700     -0.1540000    
 C    1.693000      -3.022200     -0.2584000    
 C    1.145600      0.6575000      0.4957000    
 C   -1.448300      -1.039600     -0.4316000    
 C    2.365900       1.482000      0.1939000    
 C   -2.526800     -0.6264000      0.2460000    
 C    3.251500       1.973100       1.074000    
 C   -3.751700     -0.1761000     -0.4730000    
 C    4.453800       2.781100      0.6807000    
 C   -4.916500      0.2720000      0.3872000    
 C   -6.145700      0.6367000     -0.4410000    
 C    5.787200       2.146100       1.099100    
 C   -7.319500       1.105800      0.4230000    
 C    6.041700      0.7690000      0.4785000    
 C   -8.522100       1.492000     -0.4387000    
 C   -9.680200       1.988600      0.4120000    
 C    6.049800      0.7742000      -1.034800    
 H    1.066300     -0.5721000      -1.268700    
 H  -0.3185000      -1.455100       1.320800    
 H    3.131100      -1.385900     -0.2915000    
 H  -0.2959000      -3.266200      -1.102000    
 H    1.964100      -3.157500      -1.312400    
 H    2.122400      -3.846000      0.3206000    
 H   0.2780000       1.255300      0.1869000    
 H    1.046100      0.5439000       1.583200    
 H   -1.457300      -1.045800      -1.519100    
 H    3.146800      -2.321900       1.772900    
 H  -2.5200000E-02  -4.752200      0.5839000    
 H    2.525800       1.688800     -0.8631000    
 H   -2.546800     -0.6074000       1.330000    
 H    3.108100       1.782800       2.134400    
 H    4.372100       3.760600       1.168300    
 H    4.454000       2.982500     -0.3967000    
 H   -4.592800       1.140600      0.9718000    
 H   -5.167500     -0.5414000       1.077700    
 H   -6.456400     -0.2304000      -1.037700    
 H   -5.882800       1.428300      -1.154500    
 H    5.822900       2.052800       2.191600    
 H    6.598600       2.827100      0.8142000    
 H   -7.007500       1.967100       1.026200    
 H   -7.604400      0.3085000       1.120000    
 H    7.015600      0.3912000      0.8092000    
 H    5.280600      6.2300000E-02  0.8280000    
 H   -8.851200      0.6277000      -1.027200    
 H   -8.236000       2.277600      -1.147700    
 H   -9.392700       2.874200      0.9878000    
 H   -10.52940       2.257900     -0.2237000    
 H   -10.01180       1.215600       1.112600    
 H    5.570900     -0.3894000      -2.524100    


%chk=000161885-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000161885

0 1
O 2.977518 -1.742153 1.256706
O 0.749052 -3.445322 1.687201
O -3.744382 -0.468057 -1.717175
O 5.039010 -0.219774 -2.139293
O 5.908068 1.927448 -2.079779
C 1.038933 -0.519788 0.187671
C -0.157147 -1.464942 0.611298
C 2.263041 -1.472244 -0.000928
C 0.353488 -2.918598 0.344236
C 1.601709 -2.757763 -0.553313
C 1.263111 0.653221 1.172476
C -1.412185 -1.137143 -0.149672
C 2.367058 1.585105 0.717570
C -2.564788 -0.643052 0.386631
C 3.510328 1.815005 1.413794
C -3.751819 -0.312693 -0.458489
C 4.675743 2.655373 0.938539
C -4.979618 0.217890 0.285421
C -6.156376 0.604366 -0.626678
C 5.994018 1.830140 0.864320
C -7.387775 1.097038 0.165023
C 5.876694 0.560290 -0.007460
C -8.567450 1.503820 -0.747271
C -9.803478 1.984369 0.043321
C 5.630360 0.871508 -1.468968
H 0.812456 -0.095795 -0.814402
H -0.342368 -1.376851 1.697761
H 3.021141 -1.044155 -0.674997
H -0.426810 -3.575502 -0.085152
H 1.287020 -2.600508 -1.603478
H 2.278752 -3.629768 -0.523427
H 0.304839 1.206205 1.271125
H 1.515577 0.242164 2.167313
H -1.394831 -1.278827 -1.243114
H 2.385165 -2.333573 1.803597
H 0.990298 -4.402755 1.601439
H 2.227253 2.074673 -0.260959
H -2.650104 -0.475107 1.469418
H 3.643956 1.304553 2.381369
H 4.846659 3.504480 1.631663
H 4.455905 3.091408 -0.053964
H -4.660246 1.083867 0.904541
H -5.292108 -0.558479 1.018000
H -6.431825 -0.265656 -1.253145
H -5.824118 1.388173 -1.334833
H 6.286114 1.515302 1.885161
H 6.801207 2.477626 0.474176
H -7.102971 1.963482 0.798931
H -7.725250 0.300506 0.861836
H 6.819319 -0.022472 0.041497
H 5.079456 -0.109267 0.360554
H -8.846469 0.641490 -1.386353
H -8.233256 2.305194 -1.437241
H -9.555648 2.860473 0.672305
H -10.628410 2.276389 -0.632284
H -10.180939 1.188076 0.712670
H 4.944122 0.013911 -3.103488


