%chk=000228499.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000228499

0 1
O -3.433326 0.777419 -1.557795
O -5.067731 -1.120118 0.999816
O 6.088475 0.181886 -0.895526
C -2.052695 -0.350229 0.259351
C -1.192586 0.901540 -0.138247
C -3.445594 0.048993 -0.286894
C 0.183150 0.840523 0.531423
C -3.489948 1.569366 -0.319675
C 0.913019 -0.417695 -0.023799
C -2.123796 2.115302 0.086278
C 2.332522 -0.583410 0.610639
C -1.384449 -1.574859 -0.376023
C 0.062874 -1.700900 0.135209
C 3.166122 0.730226 0.450336
C 1.010708 2.099576 0.226558
C -2.219407 -0.531391 1.773355
C 2.394644 1.993411 0.869267
C -4.631283 -0.866306 -0.099225
C 3.061145 -1.753353 -0.121537
C 3.724337 0.849672 -0.979347
C 2.238049 -0.910465 2.112540
C 4.547581 -1.498542 -0.372056
C 4.755971 -0.257031 -1.251765
C -5.191505 -1.437429 -1.362413
H -1.028306 0.850192 -1.250743
H 0.067433 0.746308 1.636203
H -4.382698 2.169305 -0.203075
H 1.064224 -0.250619 -1.120598
H -2.130597 2.451457 1.136646
H -1.824909 2.978219 -0.530697
H -1.398408 -1.485523 -1.479135
H -1.944838 -2.497016 -0.137365
H 0.043736 -1.998278 1.204214
H 0.553452 -2.536273 -0.399275
H 4.049937 0.650943 1.138632
H 0.488382 2.997728 0.605340
H 1.106707 2.243787 -0.866014
H -1.272226 -0.796134 2.256473
H -2.592392 0.378704 2.256063
H -2.941928 -1.326727 2.006314
H 2.991525 2.892656 0.624532
H 2.290603 2.000644 1.972896
H 2.571553 -1.952757 -1.095275
H 2.945363 -2.687261 0.459784
H 2.900254 0.789573 -1.714582
H 4.186004 1.842818 -1.126118
H 3.227297 -1.105138 2.540417
H 1.791419 -0.084128 2.676015
H 1.620977 -1.797387 2.295851
H 5.092954 -1.354577 0.584990
H 5.019870 -2.379781 -0.843712
H 4.782826 -0.515076 -2.332906
H -5.254150 -0.675243 -2.158017
H -4.546548 -2.237598 -1.753857
H -6.192120 -1.863981 -1.209288
H 6.274130 1.067276 -1.249782


%chk=000228499-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000228499

0 1
O -3.319565 0.541198 -1.790124
O -4.611595 -2.103083 0.389532
O 6.222274 0.361633 -0.704231
C -2.047202 -0.503307 0.226561
C -1.202046 0.760687 -0.155797
C -3.405511 -0.178306 -0.436542
C 0.176291 0.799109 0.529939
C -3.501312 1.337237 -0.526313
C 0.961525 -0.479688 0.081574
C -2.193424 1.950424 -0.020782
C 2.425319 -0.569387 0.661631
C -1.291986 -1.748159 -0.291181
C 0.143855 -1.788658 0.301536
C 3.202988 0.783722 0.413650
C 0.974751 2.065329 0.145626
C -2.318005 -0.599514 1.758122
C 2.377977 2.040282 0.784815
C -4.615598 -1.079853 -0.351999
C 3.188392 -1.726705 -0.087115
C 3.773731 0.813038 -1.023487
C 2.437996 -0.861339 2.187367
C 4.696680 -1.442601 -0.255314
C 4.932503 -0.211224 -1.157727
C -5.807288 -0.744833 -1.235583
H -1.002963 0.669774 -1.244084
H 0.052827 0.795378 1.633826
H -4.453146 1.877250 -0.464359
H 1.075263 -0.369679 -1.023362
H -2.322111 2.285767 1.026798
H -1.896744 2.825758 -0.625789
H -1.240047 -1.703299 -1.398038
H -1.834415 -2.674211 -0.022093
H 0.074107 -2.010055 1.382854
H 0.689513 -2.638667 -0.149741
H 4.086634 0.780809 1.087021
H 0.431462 2.973921 0.472489
H 1.054267 2.123794 -0.960627
H -1.378914 -0.691783 2.327269
H -2.847983 0.294006 2.137159
H -2.943654 -1.480728 1.971992
H 2.949943 2.944949 0.496008
H 2.260577 2.088396 1.886753
H 2.742033 -1.874931 -1.092426
H 3.046309 -2.680338 0.455842
H 2.985596 0.576221 -1.765111
H 4.146192 1.827202 -1.275134
H 3.481199 -0.954116 2.544783
H 1.960080 -0.053221 2.770832
H 1.923059 -1.806722 2.434803
H 5.161535 -1.227887 0.725609
H 5.222183 -2.322485 -0.668507
H 5.023953 -0.520778 -2.222038
H -6.101004 0.316385 -1.147161
H -5.535733 -0.901956 -2.295331
H -6.653147 -1.395883 -0.966061
H 6.448178 1.133429 -1.283932


