%chk=000273303.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000273303

0 1
O 4.949655 0.904966 -1.194029
O 0.809006 2.284663 -1.900963
O -0.579897 -0.724094 2.290930
O -3.072595 0.250757 -1.695406
O -0.877274 -1.295464 0.120498
O 3.860097 -1.122527 -1.149148
O -3.613041 2.232533 -2.701291
O -7.315449 -1.944983 2.300731
O -8.482324 -0.327083 1.463812
N 2.771603 0.877296 -0.627170
N -0.519099 0.445293 -2.197421
N -7.465031 -0.995609 1.546846
C 1.418147 0.290198 -0.650691
C 0.824166 0.345776 0.768371
C 0.547341 1.127534 -1.620200
C -0.288658 -0.642451 0.957347
C -1.433099 1.157204 -3.101415
C 3.856893 0.084909 -1.016542
C 6.241957 0.235021 -1.384683
C 6.819915 -0.143331 -0.052370
C -2.821638 1.355646 -2.515345
C 7.738386 0.702043 0.585623
C 6.440016 -1.349740 0.555252
C -4.212358 0.051486 -0.933990
C 8.283057 0.334742 1.819732
C 6.985864 -1.711320 1.788892
C -1.652931 -1.624793 2.686024
C -4.083077 -1.068164 -0.085964
C -5.368852 0.835858 -0.988437
C 7.909415 -0.871390 2.420812
C -6.332023 -0.630508 0.679387
C -5.157625 -1.410627 0.719786
C -6.440260 0.484529 -0.168501
H 1.479227 -0.787631 -0.994369
H 1.631644 0.147719 1.520277
H 0.476165 1.371800 1.029138
H 2.836598 1.901083 -0.696515
H -0.850668 -0.460243 -1.826649
H -1.010157 2.169068 -3.367746
H -1.531667 0.587438 -4.061295
H 6.099852 -0.634579 -2.054847
H 6.804136 1.033833 -1.905814
H 8.026229 1.646192 0.125700
H 5.707438 -1.997321 0.063782
H 8.997983 0.990737 2.313633
H 6.691147 -2.648551 2.258529
H -3.145146 -1.636429 -0.086764
H -5.434728 1.703484 -1.653224
H -1.517998 -1.687611 3.772772
H -1.529106 -2.599810 2.203250
H -2.610946 -1.166834 2.421021
H 8.335905 -1.156115 3.381315
H -5.110280 -2.278808 1.387637
H -7.367616 1.071207 -0.179806


%chk=000273303-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000273303

0 1
O 5.000625 0.024587 -1.622958
O 1.200375 2.468490 -2.016841
O 0.109334 -0.736242 2.536937
O -3.271533 0.853451 -1.177594
O -0.977762 -0.749856 0.489559
O 3.601770 -1.558002 -0.556197
O -4.002667 2.772694 -2.337652
O -7.786952 -2.939134 1.180967
O -9.118450 -1.452921 0.074065
N 2.823765 0.543205 -1.231922
N -0.740698 1.325024 -1.453196
N -7.962047 -1.891265 0.445596
C 1.432905 0.304566 -0.851228
C 1.299677 0.218783 0.700443
C 0.618731 1.465210 -1.488403
C 0.032435 -0.456812 1.187212
C -1.604346 2.351701 -2.035516
C 3.784263 -0.423470 -1.087186
C 6.166324 -0.908465 -1.443222
C 6.885251 -0.664416 -0.133733
C -3.090173 2.054663 -1.892414
C 7.932404 0.288860 -0.055535
C 6.522101 -1.389736 1.030748
C -4.509876 0.253301 -0.825561
C 8.604506 0.518880 1.165432
C 7.194248 -1.161635 2.252066
C -1.070854 -1.400398 3.151188
C -4.346447 -0.905284 -0.028118
C -5.786319 0.725122 -1.217979
C 8.236741 -0.207605 2.322301
C -6.759574 -1.146362 0.002695
C -5.483114 -1.614852 0.391080
C -6.922297 0.007610 -0.792640
H 1.085656 -0.659169 -1.273386
H 2.152816 -0.373583 1.077412
H 1.378159 1.221517 1.161083
H 3.022033 1.437815 -1.697053
H -1.160165 0.509168 -0.979485
H -1.411810 3.342256 -1.576879
H -1.387687 2.485948 -3.113644
H 5.785932 -1.941961 -1.512654
H 6.800624 -0.670500 -2.311498
H 8.217830 0.852403 -0.952428
H 5.705186 -2.117622 0.970561
H 9.413185 1.256595 1.215037
H 6.908891 -1.727465 3.146068
H -3.332793 -1.217655 0.241601
H -5.887055 1.621335 -1.830595
H -0.809501 -1.500314 4.212921
H -1.231126 -2.387382 2.686861
H -1.970384 -0.776064 3.019323
H 8.759946 -0.033079 3.269365
H -5.404614 -2.515593 1.004769
H -7.929167 0.330655 -1.069276


