%chk=000137101.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000137101

0 1
 O    6.709600     -0.4801000      0.2358000    
 C   -1.838000      -1.725800      0.9708000    
 C   -3.260500      -1.547000      0.4012000    
 C  -0.7991000     -0.7055000      0.4580000    
 C   -3.858000     -0.1621000      0.6677000    
 C   -5.307300     -1.7400000E-02  0.1853000    
 C  -0.7751000     -0.5087000      -1.062900    
 C   -5.989200       1.331900      0.4806000    
 C   -1.364400      -3.164000      0.7319000    
 C   0.3252000      0.4571000      -1.527100    
 C   -7.440400       1.293500     -7.4999998E-03
 C   -5.258500       2.510000     -0.1640000    
 C    1.736900     -1.4600000E-02  -1.242500    
 C    2.089000      -1.356600      -1.835300    
 C    2.667500      0.6728000     -0.5500000    
 C    4.034600      0.2743000     -0.2843000    
 C    4.881700       1.038200      0.4197000    
 C    6.282300      0.5911000      0.6607000    
 C    7.163700       1.513200       1.462000    
 H   -1.897600      -1.594500       2.060100    
 H   -3.267800      -1.748900     -0.6768000    
 H   -3.916200      -2.301200      0.8559000    
 H   0.1918000      -1.009000      0.8165000    
 H  -0.9998000      0.2658000      0.9281000    
 H   -3.823500      4.1900001E-02   1.745000    
 H   -3.244600      0.6018000      0.1816000    
 H   -5.903000     -0.8157000      0.6475000    
 H   -5.333100     -0.2044000     -0.8965000    
 H  -0.6579000      -1.476000      -1.563600    
 H   -1.732800     -0.1011000      -1.404000    
 H   -5.999400       1.487200       1.566700    
 H   -1.308700      -3.397700     -0.3360000    
 H   -2.051100      -3.879800       1.196400    
 H  -0.3729000      -3.326200       1.167800    
 H   0.1567000       1.437100      -1.063100    
 H   0.2251000      0.6104000      -2.609100    
 H   -7.492100       1.146400      -1.091800    
 H   -7.991200      0.4778000      0.4726000    
 H   -7.956200       2.229300      0.2325000    
 H   -5.153300       2.368800      -1.245000    
 H   -5.805000       3.444500      3.1000001E-03
 H   -4.259300       2.639400      0.2628000    
 H    1.866400      -2.158500      -1.124200    
 H    1.500100      -1.537800      -2.742300    
 H    3.131100      -1.438300      -2.154300    
 H    2.375500       1.641900     -0.1472000    
 H    4.375200     -0.6844000     -0.6583000    
 H    4.583300       1.999900      0.8236000    
 H    7.391300       1.046400       2.423700    
 H    6.678600       2.475900       1.643700    
 H    8.087400       1.697300      0.9065000    


%chk=000137101-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000137101

0 1
O 6.737192 -0.440711 0.485278
C -1.800457 -1.703227 0.865067
C -3.254300 -1.479121 0.366720
C -0.774494 -0.688568 0.279845
C -3.844332 -0.083726 0.676865
C -5.328918 0.038354 0.263203
C -0.700002 -0.632738 -1.263531
C -6.004553 1.386513 0.633353
C -1.361494 -3.167300 0.612728
C 0.446016 0.289273 -1.778755
C -7.523587 1.326544 0.343166
C -5.361799 2.585790 -0.105171
C 1.845781 -0.196033 -1.432518
C 2.217735 -1.568117 -1.958117
C 2.692831 0.596950 -0.685759
C 4.046936 0.268746 -0.285339
C 4.859449 1.080419 0.473506
C 6.236837 0.671930 0.845525
C 7.035636 1.658990 1.693527
H -1.803632 -1.544410 1.965896
H -3.303570 -1.664042 -0.726886
H -3.903029 -2.250258 0.832972
H 0.228721 -0.938883 0.681605
H -1.005312 0.328769 0.656982
H -3.750629 0.120737 1.764753
H -3.248747 0.693805 0.159879
H -5.898412 -0.786196 0.741774
H -5.419561 -0.118571 -0.833348
H -0.567535 -1.649395 -1.681113
H -1.655591 -0.250980 -1.672875
H -5.868929 1.542980 1.725612
H -1.379755 -3.417439 -0.465049
H -2.038086 -3.876037 1.125850
H -0.335765 -3.347741 0.986135
H 0.293728 1.311023 -1.379815
H 0.358706 0.357524 -2.884517
H -7.708195 1.169872 -0.737559
H -8.005472 0.495392 0.891688
H -8.026624 2.266520 0.637835
H -5.430619 2.447254 -1.202094
H -5.879837 3.529586 0.148551
H -4.295261 2.709511 0.155713
H 1.654943 -2.358678 -1.422977
H 1.945959 -1.658201 -3.027519
H 3.289419 -1.796808 -1.856018
H 2.311940 1.574522 -0.353330
H 4.484666 -0.692592 -0.589614
H 4.503310 2.058596 0.825582
H 6.521989 1.844757 2.656412
H 7.121460 2.634751 1.178241
H 8.042244 1.259267 1.889642


