%chk=000219880.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000219880

0 1
O -0.623593 -0.366429 -0.381629
O 1.839349 0.549831 1.859537
O 2.589982 -1.824650 0.491246
O 1.257299 1.755261 -1.467026
O -1.254352 1.727704 -0.895484
O -0.939687 -3.340886 0.600820
O 4.046508 0.150707 2.210002
O 4.167003 -1.456867 -1.090586
O 1.278891 4.003965 -1.178731
O -2.759631 -3.213678 -0.748365
C 2.010828 0.538194 0.411449
C 1.708213 -0.867961 -0.142352
C 0.956565 1.554350 -0.067401
C 0.278814 -1.309709 0.234894
C -0.487321 1.004488 0.060389
C -0.112717 -2.655153 -0.380219
C -2.639488 1.782831 -0.636167
C 2.942869 0.318783 2.666339
C 3.877503 -1.959454 -0.035343
C 1.325234 3.066684 -1.935071
C -3.501712 0.863657 -1.263767
C -3.099503 2.839720 0.156569
C 2.492040 0.342271 4.082467
C 4.683258 -2.765963 0.912017
C -2.280902 -3.523423 0.315147
C 1.481500 3.015764 -3.409691
C -4.881227 1.046729 -1.067605
C -2.982707 -0.252280 -2.095528
C -4.476168 2.993504 0.329483
C -2.929256 -4.157539 1.494928
C -5.361145 2.096311 -0.280689
H 3.049558 0.856566 0.155427
H 1.870851 -0.871455 -1.250011
H 1.045277 2.524704 0.485934
H 0.131408 -1.307480 1.339602
H -0.887531 1.083676 1.090673
H 0.754563 -3.329640 -0.504064
H -0.664744 -2.526214 -1.335389
H -2.391309 3.532741 0.605298
H 2.589022 -0.656727 4.538719
H 1.439615 0.652566 4.189333
H 3.110077 1.033956 4.678467
H 5.509438 -3.281780 0.399889
H 5.128081 -2.095117 1.675876
H 4.083221 -3.511969 1.454847
H 2.214499 3.759345 -3.758555
H 1.798574 2.020618 -3.766223
H 0.518955 3.238458 -3.903466
H -5.580583 0.356182 -1.537616
H -3.204995 -1.235149 -1.640615
H -3.408340 -0.250775 -3.105408
H -1.881257 -0.208565 -2.192789
H -4.859427 3.812141 0.934971
H -3.462840 -5.075547 1.201324
H -2.206512 -4.422019 2.283361
H -3.674206 -3.477200 1.938864
H -6.434343 2.219123 -0.142881


%chk=000219880-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000219880

0 1
O -0.557655 -0.441916 -0.287753
O 1.938019 0.757668 1.884017
O 2.727472 -1.802307 0.832369
O 1.247815 1.417887 -1.682945
O -1.330817 1.743284 -0.653609
O -1.306339 -3.102242 0.645032
O 4.246448 0.510811 2.176535
O 4.303883 -1.537840 -0.871015
O 1.308447 3.756969 -1.778859
O -2.301715 -3.078285 -1.474965
C 2.079760 0.547938 0.412814
C 1.800035 -0.932407 0.071647
C 1.027227 1.475384 -0.225214
C 0.360253 -1.327803 0.456931
C -0.393248 0.973511 0.100884
C 0.009631 -2.757838 0.054706
C -2.711438 1.567841 -0.300197
C 3.112917 0.702206 2.662030
C 4.010961 -1.981800 0.257177
C 1.311677 2.657432 -2.365259
C -3.556414 0.893382 -1.218345
C -3.191555 2.133941 0.898742
C 2.773899 0.895434 4.121344
C 4.911326 -2.729968 1.205385
C -2.406738 -3.158585 -0.232688
C 1.382720 2.409369 -3.851668
C -4.929116 0.797927 -0.870516
C -3.010706 0.296756 -2.498445
C -4.561208 2.014206 1.223471
C -3.689874 -3.307387 0.551718
C -5.430936 1.341015 0.334905
H 3.099388 0.829530 0.099588
H 1.963045 -1.061227 -1.015032
H 1.153978 2.516211 0.124647
H 0.214509 -1.196891 1.550053
H -0.569559 1.056350 1.198079
H 0.735335 -3.465403 0.484617
H -0.042971 -2.856989 -1.044271
H -2.503203 2.679762 1.553788
H 2.296566 -0.021020 4.513115
H 2.058512 1.723686 4.250486
H 3.692689 1.092930 4.691975
H 5.727012 -3.212412 0.646696
H 5.348265 -1.997285 1.909128
H 4.348115 -3.473538 1.790875
H 1.599628 3.350179 -4.377122
H 2.153565 1.655159 -4.081341
H 0.414624 2.007650 -4.200468
H -5.610054 0.286718 -1.561531
H -2.409758 -0.605305 -2.282777
H -3.829102 0.011402 -3.181221
H -2.343360 1.008952 -3.014319
H -4.944979 2.454366 2.150193
H -4.443245 -3.825305 -0.061036
H -3.518566 -3.846545 1.495856
H -4.074929 -2.299394 0.794590
H -6.496739 1.251035 0.572401


