%chk=000182759.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000182759

0 1
O -3.372288 1.698870 1.515364
O 2.357500 0.149947 1.583699
O -3.082166 -0.542607 -2.289496
O 1.342367 2.612916 1.393692
O 3.246625 -2.085030 0.099114
O 4.521920 -0.664990 -1.665646
C -1.515879 0.237675 0.683446
C -1.167038 -1.270520 0.868503
C -2.983211 0.357634 1.241585
C -3.801803 -0.279877 0.088826
C 1.706719 0.470490 0.327782
C -1.687349 0.647515 -0.803372
C -3.162410 0.366772 -1.181588
C -0.541472 1.126190 1.459757
C 1.115553 -0.831761 -0.284607
C 0.678596 1.584023 0.650632
C 2.878771 0.913068 -0.642965
C -2.079407 -2.160018 -0.007342
C 0.285231 -1.659495 0.657793
C -3.568707 -1.799049 0.136452
C 2.368279 -1.520531 -0.879835
C 3.146961 -0.348534 -1.545041
C -3.926149 1.613227 -1.630284
C 2.464706 2.075699 -1.549931
C 4.125020 1.308439 0.147248
C 0.757814 -2.731968 1.300331
H -1.405780 -1.509871 1.942693
H -3.132944 -0.128290 2.225853
H -4.879471 -0.046897 0.178537
H -1.424963 1.705623 -0.966224
H -1.016151 0.060043 -1.467516
H -0.223532 0.630947 2.395909
H -1.073875 2.043149 1.812419
H 0.449429 -0.545953 -1.151379
H 0.345708 2.121590 -0.269459
H -1.923743 -3.223164 0.252740
H -1.786909 -2.061563 -1.074918
H -4.139780 -2.291979 -0.673346
H -3.972605 -2.203459 1.084097
H 2.146598 -2.370805 -1.550493
H 2.837418 -0.177377 -2.597892
H -3.465181 2.054665 -2.523647
H -4.967326 1.389297 -1.886967
H -3.945558 2.383014 -0.845149
H 2.284607 2.991581 -0.966324
H 1.567782 1.862975 -2.137408
H 3.271053 2.314666 -2.257565
H 3.970187 2.249334 0.688598
H 4.984043 1.436716 -0.526333
H 4.405118 0.551023 0.890067
H -3.334912 2.259951 0.705412
H 1.731299 -0.335533 2.173238
H -3.967090 -0.806003 -2.601071
H 1.769124 -3.111292 1.186352
H 0.166725 -3.339308 1.969010
H 1.966546 2.211554 2.050422
H 3.334610 -1.456518 0.876648
H 4.814691 -1.225202 -0.895421


%chk=000182759-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000182759

0 1
O -3.452828 1.685721 1.603071
O 2.425056 0.074171 1.678960
O -3.155540 -0.470660 -2.399360
O 1.420470 2.604005 1.472359
O 3.430710 -2.061337 0.261284
O 4.586206 -0.714635 -1.783851
C -1.553428 0.240422 0.674287
C -1.189075 -1.289093 0.807842
C -3.024227 0.328695 1.229504
C -3.839354 -0.296819 0.060447
C 1.769639 0.444515 0.370892
C -1.781711 0.748302 -0.798816
C -3.254719 0.416526 -1.210790
C -0.546389 1.111774 1.472429
C 1.201567 -0.894851 -0.235473
C 0.731342 1.547437 0.709441
C 2.915969 0.893044 -0.644183
C -2.065466 -2.159552 -0.136423
C 0.296960 -1.665113 0.718853
C -3.570376 -1.826553 0.036511
C 2.488314 -1.573705 -0.774608
C 3.188974 -0.411502 -1.524172
C -4.074056 1.654798 -1.633118
C 2.443596 2.020564 -1.599238
C 4.201044 1.380327 0.066950
C 0.766652 -2.669948 1.515670
H -1.487967 -1.558300 1.844330
H -3.157539 -0.233845 2.169232
H -4.919993 -0.097958 0.189851
H -1.619594 1.842885 -0.849336
H -1.108382 0.296762 -1.544589
H -0.275367 0.597098 2.418508
H -1.036977 2.054335 1.780984
H 0.621186 -0.619665 -1.137970
H 0.423335 2.043195 -0.223410
H -1.885365 -3.227420 0.087417
H -1.777892 -1.994049 -1.189370
H -4.144026 -2.302117 -0.780002
H -3.945732 -2.257208 0.986953
H 2.285469 -2.447065 -1.413720
H 2.735958 -0.274987 -2.523141
H -3.571715 2.179755 -2.465103
H -5.085514 1.356585 -1.972637
H -4.225072 2.367522 -0.802080
H 2.266761 2.964240 -1.054479
H 1.524846 1.750099 -2.155699
H 3.236644 2.198745 -2.348302
H 3.998403 2.320388 0.608633
H 4.981690 1.560308 -0.691303
H 4.596322 0.647668 0.788702
H -3.199884 2.328447 0.893208
H 1.773122 -0.511028 2.163432
H -4.068215 -0.646001 -2.743617
H 1.792392 -3.041641 1.434117
H 0.089842 -3.184636 2.210253
H 2.008248 2.129016 2.121489
H 3.425357 -1.372809 0.993212
H 4.883631 -1.283853 -1.019027


