%chk=000220016.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000220016

0 1
O 0.957061 -2.400840 0.637677
O -1.042208 -0.137456 -1.306658
O -3.307924 -2.617685 0.613055
O 2.205063 -0.346917 -1.465912
O -0.160139 0.116083 0.770836
O -1.539088 -2.666712 2.032117
O 3.274074 -2.284887 -1.962899
C 0.071024 -2.048402 -0.404865
C -1.204148 -2.921565 -0.369541
C 0.849237 -2.257736 -1.708588
C -0.344132 -0.558382 -0.211143
C -1.977697 -2.728920 0.904141
C 2.253918 -1.699403 -1.703730
C -1.550850 1.240441 -1.309366
C -4.212756 -2.216492 1.699021
C 3.464130 0.389498 -1.404009
C -0.482825 2.176462 -1.794666
C -4.302176 -0.717132 1.695998
C 3.969499 0.480420 0.008315
C -0.497256 2.637614 -3.118806
C 0.529361 2.598722 -0.919444
C -3.231843 0.048692 2.182887
C 5.274130 0.952952 0.223339
C -5.446159 -0.079841 1.195543
C 3.164582 0.129130 1.098409
C 0.488180 3.526068 -3.559159
C 1.512521 3.485730 -1.364545
C 1.491584 3.952381 -2.683114
C -3.306703 1.443292 2.164900
C 5.763826 1.074819 1.525619
C -5.519508 1.316407 1.188274
C 3.661954 0.250726 2.399361
C -4.450768 2.078682 1.670186
C 4.959091 0.724592 2.615636
H -0.918884 -3.996037 -0.454817
H -1.846718 -2.706109 -1.255563
H 0.284164 -1.798971 -2.556038
H 0.930703 -3.348886 -1.926859
H 0.517640 -2.320894 1.537984
H -1.908959 1.487994 -0.290042
H -2.408919 1.142259 -2.000354
H -3.840098 -2.623674 2.659026
H -5.148526 -2.725297 1.403698
H 3.148183 1.379559 -1.795226
H 4.195936 -0.088348 -2.084108
H -1.271675 2.304499 -3.807455
H 0.554822 2.218492 0.106999
H -2.335414 -0.444340 2.571282
H 5.908287 1.219078 -0.619337
H -6.278043 -0.666960 0.810138
H 2.149092 -0.245885 0.930656
H 0.474135 3.885351 -4.586629
H 2.294043 3.814334 -0.680198
H 2.255473 4.647453 -3.027280
H -2.470493 2.033606 2.540387
H 6.775689 1.439269 1.692106
H -6.411202 1.810134 0.805203
H 3.033365 -0.026321 3.244365
H -4.509887 3.165969 1.663281
H 5.344131 0.817983 3.628712


%chk=000220016-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000220016

0 1
O 1.013289 -2.401453 0.720520
O -0.937790 -0.158204 -1.444495
O -3.313815 -2.572323 0.557558
O 2.185444 -0.285056 -1.345540
O -0.176949 0.150056 0.741335
O -1.490798 -2.624317 2.012858
O 3.396849 -2.127768 -2.110718
C 0.156835 -2.045962 -0.392294
C -1.139916 -2.934263 -0.406106
C 0.978359 -2.330630 -1.668806
C -0.287389 -0.556331 -0.283982
C -1.967371 -2.709472 0.848616
C 2.325833 -1.619037 -1.719738
C -1.502960 1.247187 -1.455716
C -4.234108 -2.235491 1.716848
C 3.425270 0.552259 -1.303997
C -0.470759 2.265571 -1.882340
C -4.516763 -0.750790 1.740310
C 4.119080 0.463369 0.041825
C -0.263260 2.541316 -3.257919
C 0.293320 2.966616 -0.914312
C -3.535049 0.158835 2.215714
C 5.530137 0.364469 0.102322
C -5.760630 -0.249981 1.281114
C 3.372003 0.521841 1.246372
C 0.695822 3.495941 -3.662741
C 1.249890 3.925144 -1.316592
C 1.454124 4.191349 -2.691474
C -3.796539 1.545923 2.224431
C 6.194281 0.345059 1.350270
C -6.025617 1.138203 1.297876
C 4.036011 0.493454 2.491800
C -5.042928 2.039276 1.769039
C 5.447822 0.412048 2.548711
H -0.806956 -3.989224 -0.422158
H -1.752066 -2.732299 -1.298150
H 0.392563 -2.029276 -2.555935
H 1.185064 -3.411996 -1.726937
H 0.483892 -2.322081 1.563616
H -1.898793 1.453440 -0.446699
H -2.325869 1.159848 -2.182023
H -3.741181 -2.584337 2.640380
H -5.136517 -2.828668 1.504677
H 3.033092 1.564271 -1.501108
H 4.093551 0.236205 -2.123946
H -0.852437 2.004793 -4.011933
H 0.144520 2.743387 0.147799
H -2.569209 -0.219576 2.568834
H 6.109513 0.289182 -0.826014
H -6.522234 -0.946777 0.909693
H 2.277917 0.557069 1.204766
H 0.848242 3.701834 -4.728023
H 1.834030 4.462444 -0.561269
H 2.194553 4.936747 -3.003098
H -3.032881 2.239137 2.593742
H 7.286690 0.265301 1.386465
H -6.992338 1.515005 0.945952
H 3.452046 0.528058 3.418606
H -5.246853 3.115847 1.783229
H 5.959834 0.389425 3.517588


