%chk=000221787.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000221787

0 1
O -4.830157 2.167188 -0.328921
O -2.187183 2.605537 -1.435249
O 4.254883 -0.349213 -1.403586
O 4.551264 -1.360682 0.568544
C -4.491579 1.012739 0.500282
C -3.607824 2.237694 0.463280
C -4.127253 -0.241378 -0.256291
C -3.220443 -1.147545 0.582658
C -2.291622 2.241183 -0.292790
C -2.814701 -2.406675 -0.192881
C -1.134451 1.751409 0.552652
C -1.988854 -3.379992 0.659083
C 0.213271 2.036172 -0.117350
C -0.612672 -2.835346 1.063754
C 1.396076 1.629222 0.768339
C 0.349327 -2.724287 -0.126701
C 2.727770 2.047796 0.130722
C 1.653730 -2.035254 0.284475
C 3.911201 1.834857 1.084145
C 2.663551 -2.005946 -0.869526
C 5.244162 2.163018 0.413731
C 3.895089 -1.265081 -0.442847
H -5.164560 0.877299 1.354341
H -3.656494 2.980673 1.268114
H -5.056285 -0.776508 -0.545393
H -3.642536 0.018170 -1.222848
H -2.305454 -0.585849 0.884999
H -3.729677 -1.430549 1.524004
H -2.242732 -2.121960 -1.098686
H -3.719900 -2.927980 -0.562834
H -1.166133 2.210884 1.560095
H -1.266543 0.653322 0.723010
H -1.863445 -4.330207 0.102314
H -2.555742 -3.646789 1.573202
H 0.277334 3.115529 -0.368539
H 0.263047 1.512489 -1.093911
H -0.172370 -3.497392 1.835945
H -0.729081 -1.847461 1.550493
H 1.297570 2.085758 1.771475
H 1.387282 0.525443 0.931148
H -0.133337 -2.161369 -0.950730
H 0.558506 -3.732335 -0.534082
H 2.684839 3.112257 -0.172655
H 2.887713 1.477756 -0.807884
H 2.104944 -2.548179 1.159119
H 1.442053 -0.989388 0.621884
H 3.784841 2.463085 1.987492
H 3.928889 0.786175 1.449416
H 2.944536 -3.037542 -1.173725
H 2.220154 -1.535335 -1.774931
H 5.446063 1.496771 -0.442396
H 6.077804 2.046312 1.117277
H 5.268854 3.192722 0.038636
H 5.021378 0.244881 -1.102470


%chk=000221787-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000221787

0 1
O -4.659224 2.131039 0.130920
O -2.065145 1.635340 -1.209223
O 4.622219 -1.023022 -0.479089
O 3.521469 -0.875636 1.557449
C -4.377262 0.778856 0.716676
C -3.350040 1.897045 0.840260
C -4.212606 -0.389399 -0.234234
C -3.404262 -1.541965 0.411285
C -2.079263 1.908664 0.021262
C -3.123918 -2.690011 -0.585154
C -0.807317 2.246707 0.802383
C -2.372657 -3.896125 0.034256
C 0.473425 2.212679 -0.050327
C -1.021246 -3.552373 0.711252
C 1.753985 2.464513 0.775871
C 0.014158 -2.885790 -0.223642
C 3.027678 2.509548 -0.098593
C 1.315751 -2.512703 0.519279
C 4.329588 2.645189 0.723455
C 2.353917 -1.844171 -0.404686
C 5.595576 2.682472 -0.161036
C 3.509319 -1.221551 0.354448
H -4.956631 0.578245 1.632098
H -3.279480 2.405442 1.812591
H -5.217804 -0.750801 -0.528857
H -3.708880 -0.037187 -1.151705
H -2.442736 -1.136639 0.786359
H -3.942848 -1.940692 1.296434
H -2.550447 -2.284997 -1.442572
H -4.086811 -3.047858 -1.003879
H -0.941486 3.247912 1.265642
H -0.727718 1.542311 1.659421
H -2.197229 -4.650380 -0.760180
H -3.029820 -4.381276 0.785094
H 0.387562 2.962577 -0.860229
H 0.542438 1.231238 -0.560152
H -0.583885 -4.484293 1.124573
H -1.197962 -2.889131 1.582542
H 1.659285 3.421609 1.330916
H 1.868240 1.667627 1.539848
H -0.418341 -1.967348 -0.671002
H 0.239628 -3.567869 -1.069839
H 2.953472 3.352669 -0.816934
H 3.083621 1.586825 -0.714174
H 1.759112 -3.417853 0.979300
H 1.084982 -1.824931 1.355470
H 4.281772 3.568060 1.336814
H 4.391062 1.799867 1.438441
H 2.756882 -2.547041 -1.155705
H 1.874135 -1.025592 -0.982135
H 5.664203 1.777825 -0.797307
H 6.516669 2.746307 0.447467
H 5.580056 3.555086 -0.840807
H 5.339918 -0.562918 0.037059


