%chk=000118105.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000118105

0 1
O -4.259344 -0.901573 -0.041218
O -4.974044 0.998442 0.920712
O -3.159581 -2.495875 -1.183598
C -0.944193 2.582789 -0.328189
C -2.018220 1.786900 0.422680
C 0.066387 3.209090 0.642039
C -2.957763 1.055333 -0.543451
C 1.178232 3.973320 -0.090459
C 2.122646 3.064277 -0.889326
C 3.025000 2.213431 0.014104
C 3.840541 1.201004 -0.800442
C 4.790340 0.368251 0.071129
C -2.329911 -0.166710 -1.230465
C 4.079077 -0.590252 1.036305
C 3.316993 -1.707581 0.311873
C -4.160842 0.490533 0.212732
C 2.789839 -2.759438 1.297104
C -3.210190 -1.342534 -0.882582
C 1.937653 -3.827891 0.597236
C 0.573381 -3.330796 0.217498
C -0.038556 -3.648527 -0.921329
H -1.415913 3.375199 -0.941269
H -0.408740 1.926376 -1.043558
H -1.544415 1.065752 1.118645
H -2.611770 2.472607 1.065829
H -0.454639 3.897355 1.335871
H 0.517213 2.421660 1.279054
H -3.339188 1.779597 -1.307839
H 0.729901 4.722434 -0.772161
H 1.762225 4.557774 0.648180
H 2.748210 3.686569 -1.558737
H 1.531875 2.407400 -1.557631
H 2.410029 1.677689 0.764685
H 3.702716 2.867712 0.594441
H 4.431620 1.732337 -1.572005
H 3.157880 0.528534 -1.355530
H 5.446137 1.044988 0.654062
H 5.469689 -0.208870 -0.587347
H -2.256180 -0.043496 -2.329147
H -1.287069 -0.356292 -0.894279
H 3.383479 -0.022649 1.684322
H 4.831239 -1.032964 1.718937
H 3.973407 -2.191224 -0.436670
H 2.474676 -1.277831 -0.264552
H 3.640938 -3.250145 1.808793
H 2.202502 -2.270462 2.097938
H 2.479145 -4.221306 -0.286967
H 1.812996 -4.701780 1.273577
H 0.094080 -2.697598 0.965965
H -1.042537 -3.326372 -1.170201
H 0.397448 -4.272488 -1.686759


%chk=000118105-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000118105

0 1
O -4.467016 -0.805877 0.038706
O -5.002158 1.268100 0.971982
O -3.389548 -2.540448 -1.089487
C -0.870855 2.528986 -0.385483
C -2.059187 1.935463 0.402065
C 0.046926 3.397225 0.504721
C -2.970630 1.045846 -0.478300
C 1.212769 4.074602 -0.259463
C 2.198779 3.106917 -0.961966
C 2.945447 2.145455 -0.008567
C 3.925165 1.213180 -0.757606
C 4.824431 0.356806 0.169020
C -2.340488 -0.271812 -0.984588
C 4.077053 -0.632391 1.098052
C 3.265264 -1.719369 0.353706
C -4.235844 0.606843 0.269883
C 2.776991 -2.843151 1.295404
C -3.385949 -1.357141 -0.740931
C 1.963978 -3.955031 0.574039
C 0.568046 -3.532476 0.160695
C 0.063809 -3.577033 -1.099587
H -1.255625 3.144962 -1.225546
H -0.280634 1.709287 -0.841813
H -1.681543 1.338172 1.256812
H -2.672029 2.750990 0.830564
H -0.566695 4.185837 0.986450
H 0.447484 2.775180 1.330491
H -3.317423 1.655776 -1.337406
H 0.788009 4.765966 -1.016442
H 1.781364 4.705684 0.454019
H 2.948918 3.709961 -1.513873
H 1.664715 2.515035 -1.733597
H 2.214646 1.537242 0.560632
H 3.507069 2.740268 0.742738
H 4.578122 1.833617 -1.406265
H 3.352362 0.554290 -1.441966
H 5.439090 1.039167 0.792225
H 5.536540 -0.219438 -0.457658
H -2.061691 -0.264006 -2.050471
H -1.428307 -0.542203 -0.419261
H 3.407297 -0.077096 1.785805
H 4.826748 -1.134796 1.744402
H 3.900799 -2.166944 -0.439577
H 2.394703 -1.269177 -0.163493
H 3.658332 -3.304703 1.785656
H 2.162028 -2.406879 2.110493
H 2.526550 -4.307654 -0.312715
H 1.873537 -4.822546 1.261251
H -0.086059 -3.197588 0.983680
H -0.978458 -3.313069 -1.315536
H 0.677567 -3.917329 -1.943896


