%chk=000147918.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000147918

0 1
 O    4.410500      0.5607000     -0.6258000    
 O   -1.554800     -0.3061000       1.686800    
 O   -4.048000     -0.3879000      0.5681000    
 C    1.127700      -1.237200      1.7800000E-02
 C    2.652700     -0.9548000      2.2399999E-02
 C    3.002400      0.3522000     -0.6760000    
 C   0.3249000      3.1399999E-02  0.3300000    
 C    2.314500       1.519300      2.4300000E-02
 C   0.8611000       1.272700      0.3691000    
 C   0.7149000      -1.774300      -1.369100    
 C   0.8822000      -2.341700       1.070000    
 C   -1.127100     -0.1297000      0.5502000    
 C   0.1315000       2.538600      0.7455000    
 C   -2.006300     -6.6699997E-02 -0.6861000    
 C   -3.411600      0.4598000     -0.3866000    
 C   -4.274700      0.4637000      -1.640500    
 H    3.206600      -1.783500     -0.4384000    
 H    3.028800     -0.9072000       1.055100    
 H    2.708600      0.3196000      -1.731400    
 H    2.400200       2.400500     -0.6249000    
 H    2.855800       1.775900      0.9449000    
 H   0.7062000     -0.9850000      -2.128900    
 H    1.409900      -2.550700      -1.710300    
 H  -0.2749000      -2.239800      -1.350300    
 H    1.107400      -1.984300       2.081600    
 H  -0.1583000      -2.685500       1.063800    
 H    1.512600      -3.217300      0.8756000    
 H   0.6421000       3.033100       1.578700    
 H  -0.9017000       2.365300       1.057400    
 H   0.1082000       3.227300     -0.1055000    
 H   -1.530700      0.5622000      -1.446700    
 H   -2.086800      -1.087900      -1.072300    
 H    4.833700     -0.1902000      -1.075800    
 H   -3.365000       1.469500      3.6400001E-02
 H   -5.284000      0.8199000      -1.407300    
 H   -3.847900       1.108600      -2.414500    
 H   -4.385100     -0.5480000      -2.046500    
 H   -3.588000     -0.2779000       1.417100    


%chk=000147918-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000147918

0 1
O 4.460506 0.705484 -0.674192
O -1.633081 -1.009174 1.312497
O -4.157444 -0.788870 0.170653
C 1.236093 -1.334471 0.111898
C 2.742108 -0.924879 0.115294
C 3.029754 0.343056 -0.699742
C 0.337155 -0.073410 0.229298
C 2.285606 1.522315 -0.074080
C 0.817802 1.212056 0.178946
C 0.886052 -2.085343 -1.210395
C 1.024788 -2.311950 1.305994
C -1.145712 -0.318484 0.360405
C -0.032272 2.448761 0.422170
C -2.068557 0.194663 -0.752533
C -3.525614 0.455689 -0.286357
C -4.402136 1.001869 -1.416993
H 3.335611 -1.779270 -0.270384
H 3.072634 -0.738205 1.155957
H 2.699648 0.200768 -1.751946
H 2.367258 2.415345 -0.724295
H 2.797023 1.789532 0.873703
H 1.060110 -1.453414 -2.100671
H 1.505922 -2.996568 -1.304377
H -0.172593 -2.404712 -1.220031
H 1.172403 -1.797589 2.271670
H 0.013912 -2.748542 1.313695
H 1.762690 -3.134073 1.230744
H 0.449323 3.077720 1.196272
H -1.052518 2.225883 0.773725
H -0.099814 3.075432 -0.489401
H -1.630912 1.084867 -1.236353
H -2.094381 -0.601845 -1.528254
H 4.988277 -0.048298 -1.042225
H -3.497136 1.192240 0.550529
H -5.433216 1.142828 -1.050608
H -4.022413 1.971619 -1.787665
H -4.434569 0.284703 -2.256622
H -3.544709 -1.171132 0.861576


