%chk=000114739.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000114739

0 1
O 4.212291 0.317652 0.434839
O 4.135688 -0.844182 -1.468477
O -1.978701 2.115384 -3.147502
O -2.447627 -2.339305 2.903092
C 1.859188 0.667972 0.895750
C 2.016534 -0.324872 -0.280812
C 3.295755 0.838977 1.442505
C 1.278495 2.020853 0.451573
C 1.543063 -1.749576 0.041683
C 3.516101 -0.354229 -0.565801
C -0.143214 1.901029 -0.029343
C 0.053146 -1.815802 0.247868
C -0.433042 2.055704 -1.388050
C -1.179078 1.650314 0.888966
C -0.462378 -2.051394 1.531537
C -0.815194 -1.658324 -0.841656
C -1.771950 1.954026 -1.798102
C -2.500539 1.550003 0.449369
C -1.853629 -2.118407 1.682590
C -2.201304 -1.729390 -0.655872
C -2.820883 1.704333 -0.903010
C -2.742750 -1.961145 0.607188
H 1.196314 0.233026 1.680969
H 1.475971 0.045703 -1.188685
H 3.612390 1.883102 1.591966
H 3.487523 0.250194 2.353567
H 1.922644 2.470534 -0.334111
H 1.316637 2.739928 1.298271
H 2.084578 -2.142389 0.927212
H 1.831633 -2.429236 -0.794265
H 0.337313 2.257635 -2.127663
H -0.951905 1.527391 1.944143
H 0.196611 -2.185504 2.380458
H -0.415408 -1.474639 -1.836520
H -3.295612 1.346050 1.168291
H -2.865860 -1.601035 -1.511209
H -3.847442 1.631912 -1.241187
H -3.813923 -2.025494 0.774709
H -2.935026 2.056822 -3.388935
H -1.785510 -2.479622 3.621957


%chk=000114739-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000114739

0 1
O 4.042784 0.448268 0.375635
O 3.885766 -0.537693 -1.723597
O -1.657608 2.518182 -3.515689
O -2.071558 -3.113503 3.282394
C 1.684359 0.682045 0.906392
C 1.843866 -0.296014 -0.286268
C 3.109951 0.693458 1.517499
C 1.259639 2.115798 0.461349
C 1.540045 -1.795657 0.042975
C 3.324395 -0.163895 -0.682202
C -0.129883 2.173746 -0.156829
C 0.077879 -2.045137 0.385827
C -0.292510 2.325558 -1.552944
C -1.284280 2.065453 0.664684
C -0.292433 -2.462476 1.688263
C -0.935114 -1.865828 -0.590277
C -1.587779 2.362665 -2.119335
C -2.572700 2.103696 0.092807
C -1.653180 -2.695326 2.005089
C -2.289421 -2.098263 -0.262455
C -2.737877 2.251881 -1.302964
C -2.661499 -2.513161 1.033350
H 0.947259 0.300180 1.635259
H 1.219145 0.003480 -1.145126
H 3.396715 1.662503 1.956476
H 3.267461 -0.112010 2.257635
H 2.012374 2.508876 -0.249431
H 1.292655 2.768578 1.356138
H 2.187624 -2.128826 0.877060
H 1.831398 -2.390724 -0.843828
H 0.571994 2.432178 -2.217348
H -1.172990 1.955628 1.749894
H 0.484320 -2.618654 2.450669
H -0.666230 -1.546697 -1.603898
H -3.457812 2.018975 0.732621
H -3.064718 -1.956984 -1.023363
H -3.742714 2.285503 -1.743952
H -3.704250 -2.702654 1.303898
H -2.598213 2.549351 -3.820767
H -1.295966 -3.248501 3.881659


