%chk=000224002.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000224002

0 1
O 3.359771 0.086438 -1.900748
O 0.068408 1.808761 1.459123
O 5.447398 -0.169336 0.822818
O -6.182470 0.004784 -1.204904
O 6.194169 2.255262 -0.098615
C 2.089815 0.006230 0.150282
C 1.228196 -1.219641 -0.280709
C -0.149074 -1.198613 0.397370
C -0.894122 0.075976 -0.084602
C -2.341827 0.161927 0.499538
C 3.454526 -0.361568 -0.539209
C 1.404938 1.270685 -0.383666
C -0.057727 1.374122 0.091014
C 2.156343 -2.426693 -0.059991
C 3.559098 -1.902017 -0.441264
C -0.942841 -2.456943 0.003832
C -3.083899 -1.137520 0.171561
C 2.318222 0.105655 1.659867
C -2.379094 -2.416490 0.527759
C -3.055141 1.371773 -0.161802
C -2.379427 0.296590 2.032280
C 4.674315 0.364357 0.060703
C -4.581616 1.346065 0.002320
C -4.328148 -1.159612 -0.329487
C -5.134793 0.049954 -0.597534
C 4.865137 1.812201 -0.358612
C -5.231002 2.568793 -0.640138
H 1.062110 -1.138445 -1.389355
H -0.033184 -1.159585 1.505920
H -1.021252 -0.035457 -1.197460
H 1.450678 1.288279 -1.492020
H 1.943539 2.177338 -0.040983
H -0.560266 2.204923 -0.461749
H 1.864377 -3.289190 -0.678922
H 2.133369 -2.769786 0.988532
H 4.312119 -2.191859 0.319384
H 3.905128 -2.334293 -1.394099
H -0.432381 -3.358927 0.393397
H -0.954989 -2.571347 -1.098633
H 2.801583 -0.783774 2.074925
H 2.923242 0.977576 1.930739
H 1.358459 0.248171 2.186301
H -2.386799 -2.526982 1.634595
H -2.935351 -3.298655 0.146552
H -2.815124 1.399182 -1.244525
H -2.663839 2.318906 0.254405
H -3.391414 0.140745 2.425373
H -1.717429 -0.432974 2.516858
H -2.058508 1.294103 2.368484
H -4.840451 1.331386 1.092685
H 3.843643 -0.514553 -2.504367
H -4.840672 -2.092779 -0.572134
H -0.815378 1.980823 1.858176
H 4.155715 2.475761 0.176539
H 4.732064 1.952101 -1.453443
H -4.974203 3.491866 -0.112392
H -4.937444 2.685356 -1.690406
H -6.327722 2.469970 -0.638520
H 6.555327 1.796381 0.703057


%chk=000224002-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000224002

0 1
O 3.092862 0.034968 -1.986079
O 0.074446 1.628066 1.908958
O 5.475349 0.048965 0.720376
O -6.188738 0.023596 -1.463170
O 6.083836 2.469323 -0.237369
C 2.140524 -0.002247 0.286469
C 1.250461 -1.211571 -0.140706
C -0.143999 -1.227887 0.523539
C -0.879321 0.088517 0.119804
C -2.403257 0.165250 0.565568
C 3.428457 -0.333135 -0.586424
C 1.407196 1.304989 -0.093899
C -0.041604 1.364204 0.452301
C 2.186690 -2.435049 0.002253
C 3.587945 -1.879076 -0.420338
C -0.937681 -2.464240 0.040606
C -3.098333 -1.132364 0.114785
C 2.525600 -0.026032 1.789587
C -2.415689 -2.429844 0.493661
C -3.061384 1.388938 -0.142806
C -2.610124 0.261698 2.119270
C 4.672620 0.455986 -0.168848
C -4.608995 1.377057 -0.144323
C -4.302967 -1.133375 -0.539765
C -5.110384 0.076799 -0.795687
C 4.944240 1.807006 -0.834306
C -5.207736 2.631006 -0.809392
H 1.070662 -1.075677 -1.230117
H -0.036277 -1.274778 1.626724
H -0.919119 0.069940 -0.995076
H 1.371644 1.386893 -1.195933
H 1.933842 2.194626 0.300104
H -0.532776 2.237653 -0.024928
H 1.869545 -3.279592 -0.633734
H 2.207762 -2.798002 1.046518
H 4.360847 -2.087631 0.338488
H 3.938657 -2.329251 -1.369562
H -0.459528 -3.389152 0.414417
H -0.899586 -2.505056 -1.067877
H 3.129160 -0.909876 2.057619
H 3.118149 0.868231 2.052358
H 1.621503 0.006561 2.414554
H -2.444718 -2.535497 1.599545
H -2.971722 -3.289717 0.077946
H -2.716834 1.421750 -1.197529
H -2.717768 2.328231 0.332958
H -3.604364 -0.126849 2.405117
H -1.848657 -0.309220 2.675286
H -2.578271 1.311570 2.468650
H -4.959478 1.337987 0.911198
H 3.641817 -0.519096 -2.596928
H -4.753931 -2.079667 -0.866588
H -0.791544 1.962380 2.248121
H 4.040238 2.443118 -0.750520
H 5.117358 1.646781 -1.917554
H -4.958521 3.539842 -0.231869
H -4.816946 2.754592 -1.836362
H -6.304247 2.543077 -0.883302
H 6.447188 1.849684 0.458312


