%chk=000198688.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000198688

0 1
O 4.005635 0.297744 0.357124
O 1.677430 -1.669477 -0.045180
O 0.635647 1.609416 -0.197403
O -2.355783 -2.539525 -0.851460
O -0.726512 0.883699 -1.843936
C 3.614885 -0.857814 1.138432
C 2.088521 -1.066417 1.203287
C 3.480211 1.576198 0.774971
C 2.906671 2.241957 -0.480117
C 4.346525 -1.994175 0.438632
C 0.316006 -2.176819 -0.005574
C -0.092801 -2.263381 -1.474791
C 1.787057 1.422008 -1.100688
C -1.317888 -3.149345 -1.667609
C -0.589753 1.234290 -0.691877
C -1.622097 1.317016 0.371130
C -3.648489 -3.142821 -1.032561
C -2.625241 0.336735 0.399070
C -1.602488 2.348558 1.319790
C -3.615547 0.397826 1.382543
C -2.600226 2.404521 2.296103
C -3.604971 1.430673 2.326375
H 3.996405 -0.695106 2.174048
H 1.827859 -1.737262 2.039726
H 1.547563 -0.103632 1.308287
H 2.713120 1.469824 1.560260
H 4.349801 2.131007 1.170203
H 3.714749 2.360388 -1.233398
H 2.548491 3.260548 -0.231503
H 4.396034 -2.889865 1.062790
H 5.366115 -1.690750 0.167693
H 3.830677 -2.263862 -0.498090
H -0.341875 -1.495244 0.560270
H 0.344165 -3.162950 0.488380
H 0.756960 -2.645876 -2.077020
H -0.295066 -1.240252 -1.870898
H 2.002775 0.329590 -1.104055
H 1.501869 1.763423 -2.109201
H -1.160428 -4.181165 -1.309036
H -1.644687 -3.164001 -2.722025
H -4.280339 -2.583370 -0.332632
H -3.622483 -4.202918 -0.764535
H -3.996108 -3.003080 -2.060933
H -2.621314 -0.474574 -0.345028
H -0.808866 3.096701 1.289782
H -4.395922 -0.360487 1.411933
H -2.595232 3.205644 3.032924
H -4.381855 1.477101 3.088995


%chk=000198688-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000198688

0 1
O 3.771264 0.290421 0.159370
O 1.701127 -1.842094 -0.151213
O 0.638424 2.143782 -0.215734
O -2.495990 -2.646750 -0.876829
O -0.532316 0.778238 -1.700563
C 3.659853 -0.923103 0.993339
C 2.198327 -1.391844 1.145110
C 3.366953 1.540006 0.818538
C 3.031989 2.539558 -0.297848
C 4.548672 -1.976165 0.321704
C 0.336664 -2.383860 -0.077538
C -0.141388 -2.591168 -1.518873
C 1.826836 2.089426 -1.124182
C -1.447417 -3.384382 -1.603054
C -0.484652 1.415560 -0.619118
C -1.585016 1.480293 0.389082
C -3.777779 -3.345661 -0.910912
C -2.646413 0.543669 0.280743
C -1.589556 2.445024 1.430636
C -3.706520 0.580477 1.210916
C -2.658985 2.481428 2.350247
C -3.719545 1.549843 2.242098
H 4.038055 -0.699459 2.018561
H 2.167794 -2.223316 1.888450
H 1.557105 -0.568175 1.533102
H 2.476249 1.388494 1.462242
H 4.199791 1.917943 1.450076
H 3.903853 2.622593 -0.974484
H 2.846481 3.539222 0.138933
H 4.526552 -2.924898 0.888323
H 5.589417 -1.614932 0.268541
H 4.181113 -2.169794 -0.698513
H -0.334511 -1.680290 0.457204
H 0.345869 -3.347218 0.484033
H 0.640562 -3.146525 -2.072662
H -0.262361 -1.606707 -2.002862
H 1.950136 1.053838 -1.483177
H 1.630374 2.758654 -1.980859
H -1.330825 -4.396162 -1.148855
H -1.750769 -3.514521 -2.665519
H -4.488827 -2.726417 -0.340258
H -3.707263 -4.349801 -0.439488
H -4.149586 -3.466178 -1.951191
H -2.615621 -0.216189 -0.508374
H -0.761417 3.155825 1.502784
H -4.521034 -0.148338 1.134399
H -2.667916 3.232056 3.148299
H -4.548554 1.578298 2.958575


