%chk=000241589.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000241589

0 1
O 3.091950 0.172771 -1.118575
O -3.314404 -1.636182 0.034780
O 0.349958 -2.398291 1.074976
O 0.280948 -2.546790 -2.690069
O 1.676551 1.549893 -0.009504
O -3.375863 -0.682078 -2.016944
C -0.425111 -0.383467 -0.892668
C 1.037081 -0.770126 -0.541830
C -1.292710 -1.651387 -1.130968
C -0.460529 0.533340 -2.115110
C 1.180379 -1.579190 0.751012
C -0.882326 -2.449917 -2.367418
C 1.900422 0.466549 -0.494666
C -2.745906 -1.243956 -1.149355
C 2.415718 -1.335180 1.554661
C -1.975920 -3.141029 -3.116338
C 4.148334 1.184179 -1.099427
C -4.708802 -1.267063 0.291123
C 4.912945 1.067774 0.188727
C -4.761336 0.121577 0.860157
C 4.448253 1.727030 1.337054
C -4.812216 0.315200 2.247544
C 6.082634 0.298040 0.250343
C -4.757584 1.229150 -0.001275
C 5.156252 1.622592 2.536207
C -4.871724 1.611226 2.768682
C 6.788453 0.197268 1.453157
C -4.815498 2.521744 0.524400
C 6.327648 0.859408 2.595294
C -4.875218 2.714157 1.909057
H -0.855446 0.162095 -0.011180
H 1.419138 -1.450425 -1.379065
H -1.127762 -2.347547 -0.235599
H -0.062158 1.530591 -1.885706
H -1.489572 0.685468 -2.476392
H 0.114857 0.126953 -2.956607
H 3.330888 -1.317966 0.938558
H 2.552829 -2.110368 2.324546
H 2.375976 -0.368622 2.083163
H -2.580961 -3.794506 -2.474118
H -1.571255 -3.763884 -3.929369
H -2.666083 -2.414578 -3.581956
H 4.735094 0.901537 -1.993717
H 3.695966 2.184091 -1.241482
H -5.286435 -1.366937 -0.647096
H -5.006463 -2.053401 1.010373
H 3.527188 2.315589 1.288272
H -4.798801 -0.540057 2.921505
H 6.442790 -0.224006 -0.635141
H -4.697438 1.074933 -1.082264
H 4.796594 2.138333 3.425530
H -4.911944 1.760670 3.846337
H 7.698843 -0.398502 1.499114
H -4.811797 3.380395 -0.145315
H 6.880187 0.781579 3.530321
H -4.921015 3.722520 2.316960


%chk=000241589-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000241589

0 1
O 2.906129 0.917621 -0.634446
O -3.039523 -1.335815 0.636738
O 1.095193 -2.558449 0.755265
O 0.012567 -2.199266 -2.940970
O 1.256234 1.151622 1.003716
O -3.648661 -1.631393 -1.593094
C -0.503337 -0.491296 -0.633129
C 1.046738 -0.607807 -0.743221
C -1.263625 -1.841386 -0.882940
C -0.997639 0.634910 -1.573945
C 1.671560 -1.907581 -0.155692
C -0.940999 -2.570963 -2.202134
C 1.703022 0.572280 -0.011550
C -2.767189 -1.610720 -0.701251
C 2.990608 -2.344759 -0.760132
C -1.761938 -3.801623 -2.543732
C 3.721236 2.008639 0.028811
C -4.467439 -0.960658 0.975909
C 4.724792 1.421249 0.994246
C -4.695651 0.525138 0.818044
C 4.360766 1.166802 2.342683
C -4.385402 1.413218 1.879774
C 6.039887 1.112043 0.562369
C -5.222214 1.048429 -0.391325
C 5.296603 0.606405 3.239334
C -4.592822 2.802560 1.735606
C 6.977162 0.553417 1.459666
C -5.432148 2.437941 -0.535512
C 6.606233 0.298768 2.800722
C -5.118189 3.317469 0.527153
H -0.734470 -0.210234 0.410579
H 1.360322 -0.559968 -1.798909
H -0.949872 -2.526261 -0.065005
H -0.475306 1.582254 -1.350277
H -2.078195 0.822215 -1.442263
H -0.815495 0.376504 -2.631965
H 2.806507 -2.702092 -1.792239
H 3.436550 -3.156692 -0.165632
H 3.686413 -1.490704 -0.836180
H -1.944885 -4.427620 -1.651207
H -1.248716 -4.387972 -3.321423
H -2.750833 -3.477641 -2.917888
H 4.205868 2.502688 -0.827309
H 3.014900 2.692896 0.528660
H -5.134262 -1.552440 0.326182
H -4.550803 -1.286689 2.024087
H 3.343605 1.400645 2.677190
H -3.974744 1.015085 2.815675
H 6.328643 1.309302 -0.477594
H -5.451561 0.363690 -1.215501
H 5.006755 0.411383 4.277665
H -4.348444 3.480738 2.560589
H 7.991489 0.320440 1.117152
H -5.839821 2.833603 -1.472341
H 7.332118 -0.133954 3.498299
H -5.282114 4.395221 0.415395


