%chk=000001778.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000001778

0 1
 O    4.700700      0.8707000       1.044300    
 O   -1.233200       1.970300      -2.114000    
 O   0.1410000      0.5956000      -3.288500    
 C    3.430000       1.065300      0.4104000    
 C    4.127400     -0.2636000      0.3815000    
 C    3.460300       1.967100     -0.7638000    
 C    3.708700      -1.374600       1.296900    
 C    2.401200       1.640300      -1.827700    
 C    2.712700      -2.327500      0.6973000    
 C   0.9731000       1.698000      -1.283000    
 C    1.483000      -2.529700       1.196700    
 C  -4.7699999E-02   1.346000      -2.341300    
 C   0.4164000      -3.456300      0.6755000    
 C  -0.8819000      -2.803400      0.2936000    
 C   -3.998500       1.684100       1.167800    
 C   -2.635200       1.380900       1.797300    
 C   -4.691400      0.4373000      0.6087000    
 C   -1.966200       2.655100       2.313100    
 C   -1.413600      -2.868200     -0.9379000    
 C   -2.696400      -2.244200      -1.420800    
 C   -3.879400     -0.2588000     -0.4449000    
 C   -3.512100      -1.546800     -0.3713000    
 C  -0.5988000       2.362500       2.910000    
 H    2.575500       1.211000       1.056500    
 H    4.600000     -0.6031000     -0.5304000    
 H    3.315300       2.998300     -0.4195000    
 H    4.446600       1.939900      -1.244300    
 H    3.323000     -0.9606000       2.237500    
 H    4.603100      -1.950200       1.565300    
 H    2.504200       2.340400      -2.665700    
 H    2.597400      0.6385000      -2.230600    
 H    3.022400      -2.875300     -0.1889000    
 H   0.7698000       2.710800     -0.9168000    
 H   0.8280000      0.9941000     -0.4572000    
 H    1.202000      -1.972900       2.090200    
 H   0.2012000      -4.190600       1.462100    
 H   0.8156000      -4.031500     -0.1697000    
 H   -1.392000      -2.260200       1.084400    
 H   -4.653400       2.145500       1.917000    
 H   -3.872200       2.419500      0.3628000    
 H   -2.761600      0.6684000       2.621500    
 H   -1.971700      0.9108000       1.062100    
 H   -5.649400      0.7346000      0.1660000    
 H   -4.925200     -0.2452000       1.435000    
 H   -1.852100       3.374200       1.493400    
 H   -2.599200       3.126500       3.073800    
 H   -1.902400       1.742500      -2.794200    
 H  -0.8687000      -3.420800      -1.701700    
 H   -3.316100      -3.039100      -1.853600    
 H   -2.451600      -1.556700      -2.239900    
 H   -3.584000      0.3334000      -1.307200    
 H   6.9300003E-02   1.921800       2.162900    
 H  -0.1383000       3.286300       3.274000    
 H  -0.6787000       1.667600       3.751900    
 H   -3.833500      -2.140700      0.4815000    


%chk=000001778-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000001778

0 1
O 4.280419 1.493515 1.195559
O -1.380110 1.450050 -2.965935
O 0.253546 0.071827 -3.867066
C 3.064582 1.330860 0.294500
C 3.892119 0.134205 0.646136
C 3.155880 1.997421 -1.066783
C 3.422081 -0.897981 1.664948
C 2.270338 1.328463 -2.148019
C 2.538587 -1.951435 1.021281
C 0.757495 1.405219 -1.838103
C 1.251573 -2.194071 1.379823
C -0.086851 0.890888 -2.986191
C 0.335176 -3.220555 0.734365
C -0.931703 -2.576081 0.193145
C -3.596766 1.776975 1.333336
C -2.417769 1.152197 2.111759
C -4.451895 0.733696 0.557647
C -1.541535 2.194751 2.842299
C -1.385733 -2.696275 -1.080811
C -2.644063 -2.037556 -1.638471
C -3.652408 0.011016 -0.507257
C -3.497821 -1.335610 -0.601753
C -0.334056 1.560402 3.566528
H 2.121851 1.456508 0.848488
H 4.594866 -0.229512 -0.119437
H 2.888697 3.068746 -0.969939
H 4.213051 1.963199 -1.392069
H 2.873094 -0.375644 2.470862
H 4.313040 -1.366660 2.129970
H 2.463450 1.824167 -3.118147
H 2.560589 0.269643 -2.277472
H 2.985945 -2.537673 0.202860
H 0.442338 2.437794 -1.602257
H 0.509044 0.786060 -0.951822
H 0.807972 -1.603012 2.198383
H 0.055104 -3.978108 1.499159
H 0.868093 -3.759767 -0.071343
H -1.501342 -1.959529 0.904881
H -4.252178 2.331816 2.035367
H -3.202437 2.524704 0.613728
H -2.810086 0.419755 2.849046
H -1.785330 0.573877 1.407437
H -5.304729 1.266007 0.086077
H -4.885111 0.000847 1.267429
H -1.181054 2.944719 2.108210
H -2.161989 2.751811 3.573775
H -1.904023 1.079212 -3.728329
H -0.812288 -3.303413 -1.799258
H -3.241701 -2.817777 -2.157309
H -2.342792 -1.318744 -2.429012
H -3.131251 0.657386 -1.233116
H 0.317333 1.022626 2.849256
H 0.283779 2.322111 4.076286
H -0.667268 0.829143 4.327383
H -3.992354 -1.984912 0.138080


