%chk=000127485.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000127485

0 1
 O  -0.2999000     -1.8000000E-03   2.377600    
 O    2.352700      1.6000000E-03 -0.7171000    
 O   -2.112800     -4.6999999E-03   3.816900    
 O    2.789500       4.719800     -0.4856000    
 O    2.795600      -4.716300     -0.4895000    
 O   -2.775500      2.7000001E-03  -3.435400    
 O   -4.969000     -6.0000003E-04  -2.839600    
 C  -5.6400001E-02 -6.9999998E-04  0.9351000    
 C   0.7117000       1.258700      0.5860000    
 C   0.7134000      -1.258700      0.5846000    
 C   -1.450300     -1.1000000E-03  0.3952000    
 C    1.848600       1.181700     -0.2266000    
 C    1.850400      -1.179600     -0.2275000    
 C   -2.357200     -2.6000000E-03   1.439500    
 C   -1.632700     -2.7999999E-03   2.701100    
 C   -1.898100     -3.0000001E-04 -0.9165000    
 C   0.2961000       2.525400       1.033000    
 C   0.2991000      -2.526400       1.029900    
 C    2.546400       2.337600     -0.5926000    
 C    2.550100      -2.334300     -0.5944000    
 C   -3.725500     -3.1000001E-03   1.241800    
 C   -3.276800     -7.9999998E-04  -1.148300    
 C   0.9965000       3.678200      0.6734000    
 C    1.001200      -3.677900      0.6696000    
 C    2.120600       3.584300     -0.1412000    
 C    2.125800      -3.581800     -0.1440000    
 C   -4.184300     -2.3000001E-03 -7.5700000E-02
 C    3.757100       2.244800      -1.467500    
 C    3.761400      -2.239200      -1.468200    
 C   -3.777500       0.000000      -2.514000    
 H   -1.167700      7.9999998E-04  -1.718900    
 H  -0.5837000       2.629400       1.662900    
 H  -0.5810000      -2.632000       1.659100    
 H   -4.422600     -4.1999999E-03   2.072000    
 H   0.6550000       4.646100       1.030200    
 H   0.6547000      -4.643200       1.029200    
 H   -5.256800     -2.7000001E-03 -0.2544000    
 H    3.607500       2.823000      -2.386100    
 H    4.637900       2.624000     -0.9378000    
 H    3.998400       1.225400      -1.782100    
 H    3.527100      -1.686200      -2.384600    
 H    4.567100      -1.722100     -0.9363000    
 H    4.146600      -3.214000      -1.781800    
 H    3.560000       4.523200      -1.039900    
 H    2.354200      -5.482300     -8.4100001E-02
 H   -3.123200      3.7000000E-03  -4.352700    


%chk=000127485-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000127485

0 1
O -0.039123 0.015358 2.246292
O 2.736466 -0.011211 -0.318482
O -1.640973 0.020343 3.950717
O 2.763392 4.819135 -0.712539
O 2.877807 -4.772269 -0.657220
O -3.514521 -0.021119 -3.303948
O -5.605225 -0.020394 -2.293035
C -0.037109 0.002754 0.665989
C 0.686121 1.254498 0.224860
C 0.682856 -1.259401 0.249203
C -1.534707 0.000276 0.367657
C 2.038883 1.206301 -0.190723
C 2.035126 -1.222624 -0.169815
C -2.284503 0.006606 1.560073
C -1.363713 0.014713 2.736226
C -2.176512 -0.007600 -0.880576
C 0.065945 2.528510 0.301433
C 0.065264 -2.529754 0.352055
C 2.788650 2.364401 -0.516462
C 2.792041 -2.380257 -0.479105
C -3.694590 0.005249 1.556011
C -3.596128 -0.009375 -0.900063
C 0.763956 3.700555 -0.015637
C 0.770409 -3.704879 0.054639
C 2.119190 3.609854 -0.415166
C 2.128255 -3.622762 -0.352646
C -4.349603 -0.003005 0.309332
C 4.238462 2.290683 -0.955095
C 4.234678 -2.280453 -0.922004
C -4.356094 -0.017524 -2.182904
H -1.617139 -0.011202 -1.819605
H -0.977148 2.595894 0.626763
H -0.976576 -2.594222 0.681317
H -4.247727 0.011141 2.500184
H 0.295818 4.686039 0.046700
H 0.278316 -4.680981 0.145138
H -5.441998 -0.004027 0.238899
H 4.381539 2.700027 -1.975405
H 4.904568 2.845528 -0.263926
H 4.583712 1.246869 -0.968989
H 4.328692 -1.638333 -1.816804
H 4.858783 -1.822945 -0.132451
H 4.635636 -3.277715 -1.154462
H 3.709001 4.668326 -0.963341
H 2.335079 -5.589049 -0.530388
H -4.071553 -0.023255 -4.127997


