%chk=000183158.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000183158

0 1
O 0.958984 -0.070656 -1.811829
O -1.701002 -1.241683 -2.585940
O -1.660369 2.427894 -1.900339
O 4.624896 -0.557033 1.176759
O -0.780151 2.711626 0.695157
O 1.345018 2.561906 2.238174
O -4.718474 -0.096425 1.910299
O -5.017141 -2.490715 0.382533
C -1.091665 1.297052 -1.221903
C -0.163522 0.722050 -2.316702
C -2.146463 0.337115 -0.761508
C -0.894269 -0.238745 -3.251990
C -0.282286 1.841664 -0.016556
C 1.011473 1.268866 0.217260
C 1.565420 0.294723 -0.649235
C -2.391075 -0.850024 -1.463233
C 2.772249 -0.362351 -0.375173
C -2.930428 0.609943 0.380446
C 3.465879 0.006196 0.816862
C 1.772603 1.620835 1.380697
C 5.267958 -1.649128 0.353868
C -3.360089 -1.783120 -1.049524
C 2.983315 1.000540 1.685190
C 3.353502 -1.382320 -1.228591
C -3.889877 -0.290728 0.812700
C 4.507977 -1.975112 -0.895108
C -4.111654 -1.511777 0.093061
C 6.640549 -1.053680 0.065305
C 5.298228 -2.813126 1.336797
C -4.306772 0.911560 2.866562
C -5.864352 -2.332440 1.552550
H 0.305597 1.563705 -2.887876
H -1.572188 0.322512 -3.927212
H -0.189807 -0.875059 -3.827041
H -2.761402 1.544773 0.923138
H -2.297545 2.894742 -1.302846
H -3.517121 -2.702454 -1.613264
H 3.542351 1.276657 2.576780
H 2.804126 -1.633618 -2.138733
H 4.967574 -2.741855 -1.514138
H 6.576792 -0.238938 -0.667982
H 7.086030 -0.628459 0.975440
H 7.332750 -1.805138 -0.328706
H 5.937170 -3.627679 0.979905
H 5.674773 -2.493008 2.318030
H 4.292927 -3.224127 1.500066
H 0.439260 2.985854 1.954800
H -5.047950 0.776892 3.664083
H -4.387670 1.908042 2.422258
H -3.294930 0.709839 3.230012
H -5.248817 -2.298948 2.457181
H -6.476279 -3.240535 1.506413
H -6.472104 -1.425507 1.455902


%chk=000183158-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000183158

0 1
O 0.802875 -0.065878 -1.868593
O -1.768260 -1.139769 -2.748982
O -1.951257 2.453033 -1.958805
O 4.711665 -0.256171 0.987070
O -0.796389 3.021247 0.472960
O 1.336025 2.989314 1.928293
O -4.125387 -0.517113 2.340324
O -4.551260 -2.841545 0.721235
C -1.173724 1.386872 -1.295032
C -0.263593 0.821105 -2.409383
C -2.067002 0.287768 -0.726604
C -1.077692 -0.010114 -3.392702
C -0.305168 2.020226 -0.199456
C 0.995887 1.470959 0.045939
C 1.510634 0.403354 -0.760705
C -2.324398 -0.884349 -1.481353
C 2.739583 -0.216031 -0.469557
C -2.686042 0.423100 0.542941
C 3.474285 0.271972 0.666341
C 1.797575 1.953725 1.151384
C 5.116363 -1.627311 0.448062
C -3.178699 -1.886637 -0.976033
C 3.030042 1.353559 1.456068
C 3.349256 -1.244504 -1.309651
C -3.529980 -0.574568 1.064763
C 4.488261 -1.877592 -0.912869
C -3.788963 -1.750415 0.283658
C 6.650007 -1.553298 0.384771
C 4.624976 -2.660352 1.488309
C -3.801164 0.639966 3.178349
C -5.887561 -2.583005 1.299726
H 0.216596 1.670641 -2.933198
H -1.823357 0.656710 -3.866714
H -0.433588 -0.470056 -4.157742
H -2.480789 1.325597 1.125996
H -2.174071 3.117094 -1.248800
H -3.376880 -2.785342 -1.565163
H 3.628055 1.710108 2.296237
H 2.873388 -1.473261 -2.267128
H 4.975572 -2.628337 -1.544950
H 6.973382 -0.789026 -0.341322
H 7.059788 -1.294018 1.375786
H 7.063338 -2.530912 0.078354
H 4.932421 -3.677849 1.186084
H 5.057206 -2.439514 2.480227
H 3.524071 -2.644234 1.563744
H 0.422360 3.282594 1.554114
H -4.336892 0.469171 4.123715
H -4.150262 1.583961 2.716412
H -2.712658 0.701470 3.370818
H -5.812470 -1.972158 2.212731
H -6.289967 -3.581882 1.526571
H -6.534141 -2.077707 0.556556


