%chk=000036564.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000036564

0 1
 O   -4.140000       1.221700      0.2870000    
 O   -1.542400      -2.772400      0.3598000    
 O   -5.805300      0.5239000      -1.137800    
 O    4.909200     -0.2838000     -0.7305000    
 O    6.835100      0.2273000      0.4387000    
 C   -2.809400     -0.7166000      0.3877000    
 C   -1.441500      -1.357600      0.1323000    
 C   -2.793700      0.7907000      0.5925000    
 C  -0.2962000     -0.8560000       1.043800    
 C   -1.823300       1.571600     -0.2964000    
 C   0.2928000      0.5101000      0.6908000    
 C  -0.3502000       1.521900      5.7200000E-02
 C   -3.826000     -0.8022000     -0.7131000    
 C    1.759100      0.6219000       1.067100    
 C  -0.6262000     -0.9706000       2.542000    
 C   -4.731900      0.3598000     -0.5877000    
 C   0.3667000       2.772700     -0.4116000    
 C    2.645300      7.6800004E-02 -3.6499999E-02
 C   -3.968500      -1.653900      -1.732300    
 C    4.115000      0.2238000      0.3329000    
 C    6.263100     -0.2207000     -0.5458000    
 C    6.968200     -0.7884000      -1.740200    
 H   -3.275300      -1.189300       1.264700    
 H   -1.140600      -1.233600     -0.9158000    
 H   -2.622400       1.045600       1.643100    
 H   0.5089000      -1.588700      0.8816000    
 H   -2.147000       2.622000     -0.2512000    
 H   -1.945000       1.290600      -1.350800    
 H    2.028700       1.656100       1.310700    
 H    1.951900      7.2899997E-02   1.996500    
 H   0.2719000     -0.8499000       3.156800    
 H   -1.342200     -0.2135000       2.870900    
 H   -1.043900      -1.954300       2.780700    
 H   9.7199999E-02   3.619200      0.2287000    
 H   6.5600000E-02   3.010900      -1.438500    
 H    1.455000       2.695400     -0.4319000    
 H   -2.272900      -3.121600     -0.1743000    
 H    2.432600     -0.9814000     -0.2328000    
 H    2.461600      0.5927000     -0.9873000    
 H   -3.295000      -2.489300      -1.878000    
 H   -4.761500      -1.537700      -2.464000    
 H    4.358200       1.280800      0.4945000    
 H    4.330700     -0.3384000       1.249200    
 H    6.714600     -0.2076000      -2.630600    
 H    6.688900      -1.836800      -1.871400    
 H    8.049300     -0.7324000      -1.583900    


%chk=000036564-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000036564

0 1
O -4.210090 1.271896 0.199121
O -1.463649 -2.782970 0.349340
O -5.887011 0.494235 -1.223209
O 4.982011 -0.279695 -0.775877
O 6.906968 -0.044356 0.517219
C -2.825973 -0.709258 0.371122
C -1.432539 -1.321170 0.110529
C -2.813391 0.835010 0.560573
C -0.309424 -0.814245 1.047686
C -1.834315 1.592949 -0.349311
C 0.287708 0.557713 0.697683
C -0.361733 1.590581 0.072129
C -3.874465 -0.881510 -0.721067
C 1.766614 0.655970 1.086153
C -0.688330 -0.938998 2.551057
C -4.795017 0.310960 -0.658886
C 0.325763 2.895326 -0.311861
C 2.708153 0.179713 -0.056321
C -4.060515 -1.848381 -1.653154
C 4.170377 0.177129 0.390553
C 6.366245 -0.347724 -0.569962
C 7.063981 -0.826736 -1.824858
H -3.217827 -1.170119 1.301632
H -1.140112 -1.125923 -0.943457
H -2.675454 1.137084 1.609779
H 0.505723 -1.550521 0.880106
H -2.183703 2.643139 -0.372457
H -1.940374 1.224614 -1.392274
H 2.041040 1.684847 1.383354
H 1.948599 0.022990 1.977711
H 0.186290 -0.728957 3.192128
H -1.481137 -0.227136 2.841079
H -1.031434 -1.965408 2.767648
H -0.066737 3.739609 0.289891
H 0.111636 3.140638 -1.370878
H 1.419541 2.873393 -0.192709
H -2.192789 -3.194919 -0.177549
H 2.424294 -0.839820 -0.379419
H 2.592542 0.838643 -0.936819
H -3.406040 -2.720050 -1.769666
H -4.900615 -1.764987 -2.352827
H 4.519428 1.182898 0.691376
H 4.348350 -0.512826 1.236730
H 6.840761 -0.149139 -2.666945
H 6.696566 -1.829318 -2.104481
H 8.149285 -0.863471 -1.653813


