%chk=000185644.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000185644

0 1
O 4.504052 0.526071 -0.553086
O 2.716234 -0.057199 0.837754
O 5.983494 -2.782932 1.419329
O 3.739049 -2.648177 -0.305197
O 5.733058 0.035964 2.497112
O 3.780170 -0.200848 -3.567092
O -1.889218 0.337783 0.582228
O 0.780999 3.801470 -1.359022
O -1.841682 3.937450 -1.401160
O -7.353150 -2.614933 0.398192
C 5.704982 -1.557329 0.747301
C 4.946943 -1.944905 -0.546034
C 4.823640 -0.652984 1.634290
C 4.690902 -0.664394 -1.371956
C 4.096903 0.416619 0.779385
C 3.476927 -0.798551 -2.305656
C 1.679784 0.721830 0.385557
C -3.128639 1.136120 0.402280
C -3.067070 1.966779 -0.869536
C -0.706113 0.909595 0.253548
C -0.606241 2.135492 -0.452021
C 0.419725 0.183382 0.669867
C -1.807803 2.820109 -0.942905
C 1.853748 1.933222 -0.294297
C 0.698073 2.625233 -0.692647
C -4.219171 0.102130 0.380517
C -5.429352 0.359156 1.053706
C -4.043149 -1.107725 -0.301934
C -6.456852 -0.573122 1.032622
C -5.059811 -2.066085 -0.331738
C -6.259035 -1.786363 0.335320
C -7.274344 -3.898031 -0.270535
H 6.665570 -1.037864 0.513032
H 5.538378 -2.698907 -1.126111
H 4.099232 -1.258564 2.229262
H 5.598153 -0.371264 -1.958238
H 4.181852 1.454595 1.166647
H 2.572095 -0.340572 -1.867554
H 3.270078 -1.858830 -2.565454
H 6.566997 -2.609756 2.194729
H 3.101659 -2.106636 0.227236
H 5.296200 0.267050 3.346252
H -3.166449 1.779204 1.312712
H -3.967775 2.612111 -0.952043
H -3.105107 1.322580 -1.774989
H 0.308195 -0.753848 1.207797
H 2.842332 2.307982 -0.530981
H 3.776748 0.776954 -3.489966
H -5.565568 1.297148 1.593755
H -3.094234 -1.307783 -0.805630
H -7.403166 -0.396443 1.539544
H -4.906644 -3.000677 -0.860618
H 1.721353 4.097326 -1.504087
H -7.139069 -3.757925 -1.346714
H -8.262085 -4.324793 -0.050391
H -6.478200 -4.506714 0.167620


%chk=000185644-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000185644

0 1
O 4.648237 0.552280 -0.616715
O 2.800894 -0.175045 0.782619
O 6.496407 -2.520620 1.546194
O 3.979589 -2.658595 -0.118354
O 5.909760 0.240732 2.527964
O 3.764823 0.229156 -3.329602
O -1.905177 0.079906 0.347717
O 0.807281 3.837474 -1.254219
O -1.918286 3.836353 -1.521352
O -7.767619 -2.483698 0.585276
C 5.967992 -1.398706 0.784230
C 5.203238 -1.924782 -0.448848
C 5.032096 -0.527119 1.634600
C 4.963093 -0.718166 -1.388545
C 4.175029 0.407541 0.732551
C 3.864468 -0.929839 -2.440403
C 1.711864 0.597236 0.315549
C -3.148732 0.925267 0.289209
C -3.101616 1.778399 -0.988997
C -0.698130 0.731754 0.102842
C -0.618024 2.028997 -0.512258
C 0.446127 0.018307 0.510473
C -1.852173 2.672294 -1.034601
C 1.856543 1.875112 -0.274697
C 0.694312 2.580120 -0.667759
C -4.331256 -0.012647 0.369930
C -5.395376 0.248559 1.270277
C -4.419640 -1.142869 -0.476011
C -6.526697 -0.585812 1.315555
C -5.540981 -1.998329 -0.435892
C -6.603304 -1.713454 0.460180
C -7.898013 -3.663404 -0.274650
H 6.794343 -0.743248 0.429938
H 5.833011 -2.668509 -0.964494
H 4.354817 -1.181743 2.216349
H 5.904045 -0.450906 -1.902503
H 4.152122 1.435498 1.136781
H 2.893861 -1.157788 -1.959986
H 4.137616 -1.780623 -3.086687
H 6.993953 -2.149580 2.319781
H 3.301518 -2.027901 0.252049
H 5.407824 0.532261 3.329951
H -3.123752 1.588395 1.178902
H -3.995467 2.420999 -1.057267
H -3.101769 1.111426 -1.874390
H 0.338343 -0.953012 0.997117
H 2.845430 2.310413 -0.449978
H 3.561616 1.018881 -2.764979
H -5.340460 1.113277 1.942888
H -3.591093 -1.374586 -1.154391
H -7.354363 -0.392087 2.004131
H -5.575487 -2.871706 -1.093731
H 1.760498 4.095973 -1.346819
H -7.892727 -3.383082 -1.345862
H -8.871055 -4.102945 -0.011440
H -7.091957 -4.396609 -0.077619


