%chk=000228864.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000228864

0 1
O -5.528621 0.043998 0.277301
O 5.939485 -0.612973 -0.896546
C -2.121877 -0.224896 0.022205
C -1.199579 0.934714 -0.479299
C 0.092918 0.990750 0.345513
C 0.855266 -0.348527 0.098677
C -3.400706 0.023981 -0.842445
C -1.388283 -1.550681 -0.255636
C -2.134521 2.153491 -0.513399
C -0.026535 -1.563136 0.459868
C 2.179530 -0.340255 0.910786
C -3.500873 1.570164 -0.943282
C 0.961969 2.200857 -0.036049
C -2.480542 -0.116645 1.511614
C 2.305337 2.182131 0.710887
C 2.985926 0.863922 0.463570
C 2.987202 -1.649452 0.809953
C -4.651994 -0.603777 -0.249643
C 3.877220 -1.722988 -0.428940
C 4.175304 0.776022 -0.150175
C 4.793017 -0.514411 -0.513827
C -4.752478 -2.099952 -0.379415
H -0.910055 0.716241 -1.540097
H -0.160921 1.067601 1.431203
H 1.114233 -0.415525 -0.985677
H -3.245667 -0.399798 -1.861012
H -1.243673 -1.691109 -1.342992
H -2.001116 -2.410356 0.079670
H -1.782133 2.924114 -1.215623
H -2.204656 2.638357 0.474675
H -0.184731 -1.600618 1.555143
H 0.512974 -2.496667 0.201694
H 1.919794 -0.199043 1.992735
H -4.313440 1.948163 -0.291962
H -3.761651 1.873697 -1.968882
H 0.421686 3.138965 0.192236
H 1.144428 2.214276 -1.128382
H -3.137072 0.741769 1.707200
H -3.001869 -1.009195 1.871489
H -1.588365 0.016136 2.134975
H 2.148136 2.335890 1.797753
H 2.932053 3.034805 0.381506
H 2.305329 -2.523292 0.827857
H 3.620446 -1.746750 1.716267
H 3.267133 -1.768177 -1.353695
H 4.480102 -2.653085 -0.425069
H 4.756204 1.652798 -0.436609
H -5.024846 -2.390813 -1.402134
H -3.807685 -2.604936 -0.131985
H -5.533602 -2.501585 0.282799


%chk=000228864-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000228864

0 1
O -5.491613 -0.214677 0.455847
O 5.796614 -0.727487 -1.386807
C -2.135069 -0.234907 0.156656
C -1.222338 0.930093 -0.355461
C 0.130921 1.012394 0.378758
C 0.888493 -0.347069 0.192866
C -3.393459 0.012563 -0.778818
C -1.383230 -1.568747 -0.065870
C -2.159972 2.160526 -0.373524
C 0.012835 -1.555104 0.618409
C 2.258686 -0.279302 0.964500
C -3.546765 1.569791 -0.798426
C 0.986191 2.208491 -0.106245
C -2.543716 -0.081291 1.645936
C 2.387321 2.241389 0.578369
C 3.046278 0.893856 0.393327
C 3.109725 -1.572982 0.986561
C -4.660244 -0.726931 -0.344066
C 3.864250 -1.813068 -0.339300
C 4.188421 0.724081 -0.347557
C 4.719965 -0.602508 -0.725389
C -4.883554 -2.118203 -0.926265
H -0.987751 0.686765 -1.418412
H -0.052521 1.155715 1.466778
H 1.107863 -0.451608 -0.893750
H -3.112588 -0.358219 -1.786525
H -1.248347 -1.734797 -1.155943
H -1.965057 -2.427076 0.325382
H -1.811841 2.942271 -1.071475
H -2.218797 2.622649 0.630369
H -0.108022 -1.551452 1.720754
H 0.531779 -2.498909 0.365742
H 1.994414 -0.029942 2.016458
H -4.350085 1.866218 -0.102137
H -3.842956 1.912907 -1.805700
H 0.456291 3.157696 0.099054
H 1.124229 2.142736 -1.205000
H -3.174243 0.807732 1.813281
H -3.132411 -0.956568 1.976195
H -1.665068 -0.005957 2.308899
H 2.245918 2.452855 1.658539
H 3.003868 3.053329 0.152711
H 2.486367 -2.449446 1.238137
H 3.856550 -1.477633 1.799403
H 3.147211 -1.993870 -1.167216
H 4.518226 -2.700951 -0.284728
H 4.736708 1.589808 -0.741046
H -5.183915 -2.024103 -1.988952
H -3.953935 -2.715085 -0.909985
H -5.683426 -2.641776 -0.379534


