%chk=000251404.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000251404

0 1
O -4.378835 1.457206 0.213919
O 6.837704 -0.031829 0.309795
O -5.815274 0.357202 1.520458
C -1.791488 -0.582798 -0.147461
C -1.033062 0.696177 -0.642156
C 0.353222 0.800461 0.007806
C 1.178844 -0.440502 -0.447741
C 2.615734 -0.403121 0.171569
C -3.186056 -0.379584 -0.824195
C -1.005711 -1.805898 -0.650652
C -2.052249 1.829315 -0.434926
C -3.386216 1.172938 -0.822496
C 0.442542 -1.761164 -0.130463
C 3.290066 0.929104 -0.292436
C 1.059494 2.108189 -0.389907
C 2.487426 2.158633 0.164559
C -4.406184 -0.932108 -0.071125
C 3.456016 -1.578609 -0.402765
C -1.923567 -0.629881 1.381387
C 4.747674 1.020653 0.183874
C 2.556385 -0.510227 1.702683
C 4.927143 -1.519233 0.020290
C 5.556839 -0.167259 -0.348010
C -4.978211 0.283398 0.663621
C -5.471719 -1.520059 -0.989019
H -0.870508 0.600223 -1.747479
H 0.251608 0.779580 1.120282
H 1.291854 -0.379246 -1.558317
H -3.154290 -0.769243 -1.861538
H -1.008028 -1.839827 -1.755620
H -1.491937 -2.741579 -0.319964
H -2.081332 2.179749 0.614340
H -1.830384 2.716386 -1.046705
H -3.827396 1.570412 -1.752603
H 0.441629 -1.932223 0.964681
H 1.004730 -2.609233 -0.566103
H 3.297415 0.926128 -1.412447
H 0.482233 2.973521 -0.012749
H 1.078599 2.215306 -1.490923
H 2.988620 3.084863 -0.174410
H 2.468022 2.216495 1.269469
H -4.104865 -1.701947 0.681942
H 3.387361 -1.578850 -1.507092
H 3.024366 -2.542746 -0.073204
H -0.940243 -0.601748 1.868992
H -2.491369 0.225595 1.768363
H -2.422781 -1.544677 1.717670
H 5.214875 1.966689 -0.148296
H 4.808471 1.041237 1.290580
H 2.160738 -1.478802 2.024074
H 3.551808 -0.398385 2.149256
H 1.917658 0.268154 2.135742
H 5.017249 -1.674460 1.114740
H 5.488354 -2.347504 -0.447786
H 5.730737 -0.087783 -1.443133
H -6.368209 -1.807667 -0.420213
H -5.793570 -0.810570 -1.761429
H -5.105652 -2.419928 -1.497480
H 7.433919 -0.759323 0.065048


%chk=000251404-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000251404

0 1
O -4.480825 1.395250 0.280829
O 7.003008 -0.011707 -0.083907
O -6.077350 0.104886 1.366646
C -1.834902 -0.584312 -0.033222
C -1.051600 0.687398 -0.501583
C 0.355600 0.813796 0.114162
C 1.184638 -0.457672 -0.282325
C 2.664191 -0.405894 0.264967
C -3.181446 -0.367912 -0.808327
C -1.022691 -1.824590 -0.477804
C -2.074028 1.840998 -0.330775
C -3.413203 1.184515 -0.751210
C 0.431816 -1.775038 0.068254
C 3.317622 0.917639 -0.282243
C 1.068420 2.109325 -0.345062
C 2.531989 2.178434 0.141988
C -4.487429 -0.971343 -0.245571
C 3.486044 -1.602605 -0.314509
C -2.061268 -0.609332 1.503581
C 4.825248 1.024205 0.049693
C 2.689205 -0.469903 1.817499
C 5.002239 -1.509533 -0.010550
C 5.598066 -0.177761 -0.508212
C -5.124663 0.169560 0.572779
C -5.486200 -1.442974 -1.335211
H -0.899110 0.561312 -1.600431
H 0.256716 0.855205 1.218707
H 1.272503 -0.425627 -1.395382
H -3.028271 -0.682767 -1.858371
H -0.991666 -1.855887 -1.587675
H -1.511433 -2.761816 -0.142527
H -2.144337 2.175670 0.720273
H -1.836827 2.724711 -0.946341
H -3.818768 1.596862 -1.691560
H 0.413822 -1.917643 1.165596
H 0.986463 -2.637959 -0.345692
H 3.237356 0.853315 -1.393484
H 0.506049 2.993729 0.012938
H 1.054898 2.150530 -1.456091
H 3.025836 3.077445 -0.277689
H 2.562373 2.293089 1.244273
H -4.303581 -1.814478 0.443410
H 3.335604 -1.635667 -1.415398
H 3.104087 -2.560436 0.086592
H -1.106786 -0.612731 2.055169
H -2.642150 0.258687 1.859804
H -2.606075 -1.523036 1.804297
H 5.240714 1.954018 -0.383726
H 4.996238 1.080707 1.141850
H 2.351094 -1.459762 2.174559
H 3.705514 -0.311403 2.216369
H 2.037466 0.291590 2.279012
H 5.186845 -1.590178 1.077858
H 5.527596 -2.362376 -0.488955
H 5.540031 -0.158071 -1.622074
H -6.438700 -1.758925 -0.875542
H -5.706706 -0.635551 -2.057721
H -5.065466 -2.297834 -1.894039
H 7.526390 -0.790549 -0.403598


