%chk=000174556.chk
%nprocshared=4
%mem=3800MB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000174556

0 1
 O   -1.891700       1.129000      0.6838000    
 O    1.423000      -2.046400     -0.3657000    
 O   -1.473900       2.525200      -1.132300    
 C   -1.576600      -1.962000     -2.4599999E-02
 C    2.953800      0.5395000      3.1700000E-02
 C  -0.6075000     -0.8548000      0.1121000    
 C    1.499900      0.3019000      0.1370000    
 C   0.8508000      -1.010900     -7.9000004E-02
 C  -0.7508000      0.4386000      0.4101000    
 C   0.4986000       1.137300      0.4274000    
 C   -1.250300      -3.079400      0.9891000    
 C   -1.523400      -2.556400      -1.449500    
 C   -3.013900      -1.460200      0.2386000    
 C    3.446200      0.1919000      -1.389700    
 C    3.722000     -0.3351000       1.047700    
 C    3.284200       2.021100      0.3199000    
 C   -2.154000       2.174900     -0.1765000    
 C   -3.436500       2.845700      0.2200000    
 H   0.5920000       2.186700      0.6614000    
 H   -1.236200      -2.692500       2.015000    
 H   -2.003600      -3.875000      0.9482000    
 H  -0.2798000      -3.548400      0.7960000    
 H  -0.5551000      -3.016500      -1.672500    
 H   -1.708700      -1.785500      -2.207000    
 H   -2.285400      -3.334300      -1.577000    
 H   -3.321800     -0.6974000     -0.4856000    
 H   -3.130300      -1.059300       1.252200    
 H   -3.730400      -2.285800      0.1455000    
 H    2.900200      0.7636000      -2.149600    
 H    4.510900      0.4280000      -1.502500    
 H    3.327600     -0.8714000      -1.623100    
 H    3.604000      -1.405200      0.8467000    
 H    3.377000     -0.1483000       2.071600    
 H    4.796300     -0.1186000       1.016400    
 H    2.984600       2.315200       1.332800    
 H    2.793200       2.693400     -0.3937000    
 H    4.363000       2.201600      0.2394000    
 H   -3.352700       3.230800       1.239300    
 H   -4.263600       2.135600      0.1428000    
 H   -3.631200       3.684600     -0.4541000    


%chk=000174556-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000174556

0 1
O -2.011324 1.135760 0.435133
O 1.470354 -2.146107 -0.271920
O -1.506292 3.084442 -0.787002
C -1.625960 -2.021401 -0.094332
C 3.049019 0.547336 -0.003568
C -0.636469 -0.864004 -0.000474
C 1.547111 0.322985 0.044499
C 0.869200 -1.049834 -0.102228
C -0.787460 0.488903 0.179640
C 0.534760 1.219269 0.214618
C -1.340134 -3.029377 1.063288
C -1.430322 -2.748695 -1.462007
C -3.101323 -1.551271 0.006762
C 3.599104 0.057344 -1.379762
C 3.732779 -0.266795 1.138945
C 3.380805 2.050855 0.172402
C -2.264914 2.467091 -0.019143
C -3.577424 2.938289 0.557499
H 0.621502 2.296784 0.344053
H -1.482632 -2.548701 2.048851
H -2.038675 -3.884328 0.992464
H -0.309335 -3.417600 1.005225
H -0.403656 -3.137932 -1.562467
H -1.632978 -2.062761 -2.305219
H -2.134534 -3.599095 -1.532766
H -3.360833 -0.852701 -0.808897
H -3.305271 -1.046156 0.966458
H -3.765462 -2.432280 -0.071864
H 3.139213 0.620433 -2.212638
H 4.693383 0.213785 -1.420226
H 3.395128 -1.016808 -1.525589
H 3.526311 -1.345126 1.033263
H 3.373868 0.065726 2.130636
H 4.827788 -0.114758 1.099769
H 3.021835 2.432595 1.146656
H 2.926678 2.661311 -0.630132
H 4.475481 2.198420 0.134190
H -3.530899 2.940106 1.660302
H -4.386657 2.245729 0.267380
H -3.801867 3.949770 0.190500


