%chk=000172798.chk
%nprocshared=4
%mem=7500MB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000172798

0 1
 O   0.3868000      0.5031000      5.1700000E-02
 O    3.114200      0.6145000      -2.076500    
 O    1.526600      -2.361200       1.500000    
 O   0.1765000       2.849200      0.2637000    
 O    2.224300       1.148100       1.271100    
 C    2.372700     -0.8042000     -0.2009000    
 C   -2.510700      0.2138000      0.3396000    
 C   -1.792300       1.525600      1.1100000E-02
 C    2.414900     -0.5768000      -1.732400    
 C    1.585800      -2.097900      0.1031000    
 C   -3.901900      0.1705000     -0.2970000    
 C  -0.3837000       1.584800      0.6045000    
 C    1.682400      0.3962000      0.4695000    
 C    3.822300     -0.8779000      0.3093000    
 C   -4.672600      -1.113600      1.7500000E-02
 C   -6.045300      -1.174100     -0.6343000    
 H   -1.925500     -0.6398000     -2.2200000E-02
 H   -2.600000      0.1074000       1.427200    
 H   -2.378100       2.379800      0.3723000    
 H   -1.726800       1.635700      -1.079400    
 H    1.407200     -0.5077000      -2.157600    
 H    2.921900      -1.410900      -2.230200    
 H    2.071300      -2.958100     -0.3708000    
 H   0.5589000      -2.052600     -0.2763000    
 H   -4.486600       1.031600      4.9899999E-02
 H   -3.804300      0.2720000      -1.385000    
 H  -0.4328000       1.486700       1.696000    
 H    4.377800      4.5400001E-02  0.1094000    
 H    4.363200      -1.705000     -0.1639000    
 H    3.853800      -1.039800       1.393000    
 H   -4.791200      -1.208600       1.103500    
 H   -4.086300      -1.978700     -0.3145000    
 H   -5.962100      -1.121600      -1.724400    
 H   -6.548700      -2.110600     -0.3750000    
 H   -6.673900     -0.3438000     -0.2972000    
 H    2.604300       1.367200      -1.732600    
 H    1.007100      -1.651100       1.913100    
 H   0.8429000       3.059500      0.9398000    


%chk=000172798-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000172798

0 1
O 0.349438 0.269417 0.424163
O 0.606790 -1.418743 -1.758453
O 4.407467 -0.889749 1.534450
O 0.108663 2.288310 1.772428
O 1.910604 0.186606 2.128880
C 2.413535 -0.956230 -0.027922
C -2.646745 0.191940 0.193783
C -1.806509 1.427988 0.584484
C 1.523283 -1.997689 -0.782718
C 3.496425 -1.742082 0.779706
C -3.913721 0.574957 -0.603470
C -0.554150 1.097553 1.380154
C 1.566874 -0.136227 0.951942
C 3.093314 0.019535 -1.030644
C -4.773046 -0.648122 -0.997071
C -6.030410 -0.260652 -1.804557
H -2.036501 -0.509299 -0.409134
H -2.944579 -0.360523 1.109352
H -2.411286 2.111242 1.211165
H -1.504063 1.999546 -0.312729
H 0.974456 -2.622271 -0.042522
H 2.186559 -2.659003 -1.367861
H 4.135487 -2.286994 0.063740
H 2.997326 -2.481848 1.444243
H -4.529689 1.278130 -0.004748
H -3.618126 1.123918 -1.521668
H -0.730445 0.406434 2.229534
H 2.353368 0.656053 -1.541902
H 3.621863 -0.571084 -1.800165
H 3.831972 0.648459 -0.505607
H -5.074716 -1.192805 -0.079081
H -4.153871 -1.352852 -1.588358
H -5.754879 0.254869 -2.743870
H -6.629249 -1.150473 -2.071520
H -6.679717 0.422531 -1.225097
H 0.091463 -0.708706 -1.289748
H 3.853745 -0.396085 2.198905
H 0.861171 2.041045 2.377017


