%chk=000245444.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000245444

0 1
O -3.913590 -0.406034 1.324042
O -0.329934 -0.252411 1.191786
O 2.958124 1.253715 1.098612
O 0.046357 0.616692 -0.868853
C 1.768840 -0.703186 0.280242
C -2.674710 -0.576754 0.598136
C 2.108156 -1.636034 -0.897122
C -2.964814 -0.244168 -0.872841
C 3.620798 -1.483158 -1.155659
C -4.269135 0.569667 -0.859012
C 4.031866 -0.122548 -0.581503
C 2.932926 0.302300 0.366077
C -1.650855 0.360449 1.261614
C -4.820950 0.440117 0.566733
C 0.440756 -0.017975 0.080188
H 1.749732 -1.277678 1.245638
H -2.401527 -1.639194 0.770810
H 1.533771 -1.349012 -1.800893
H 1.838086 -2.681084 -0.672218
H -3.080904 -1.166674 -1.467095
H -2.131659 0.319074 -1.340298
H 3.847678 -1.552594 -2.233607
H 4.184262 -2.298920 -0.667256
H -4.080218 1.625445 -1.121317
H -4.984351 0.189109 -1.607682
H 4.146228 0.642673 -1.376652
H 5.009055 -0.156032 -0.064967
H -1.816375 0.426895 2.354666
H -1.620860 1.368537 0.817353
H -4.871758 1.400422 1.103401
H -5.788295 -0.083639 0.625976


%chk=000245444-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000245444

0 1
O -4.025374 0.227521 1.545392
O -0.354604 -0.362411 1.090639
O 2.791822 0.800456 1.531499
O 0.023363 0.667804 -0.976858
C 1.708602 -0.848725 -0.014348
C -2.841060 -0.490912 0.994185
C 2.222471 -1.330470 -1.392214
C -3.137902 -0.711444 -0.507384
C 3.769681 -1.365556 -1.240338
C -4.051681 0.490942 -0.862576
C 4.088525 -0.122579 -0.378815
C 2.865603 0.061996 0.528134
C -1.623017 0.405757 1.287270
C -4.900409 0.647296 0.415139
C 0.388478 -0.102881 -0.057015
H 1.613399 -1.684467 0.705623
H -2.736690 -1.440308 1.550428
H 1.924419 -0.593602 -2.160701
H 1.800850 -2.308721 -1.677790
H -3.684766 -1.661940 -0.644926
H -2.221323 -0.738214 -1.118272
H 4.282736 -1.351286 -2.216427
H 4.082612 -2.285505 -0.711513
H -3.442564 1.393892 -1.046476
H -4.668956 0.304058 -1.757363
H 4.168954 0.787178 -1.008490
H 5.013242 -0.184451 0.219452
H -1.618033 0.691724 2.350048
H -1.609775 1.302016 0.643887
H -5.221702 1.684217 0.613281
H -5.790205 -0.013382 0.394831


