%chk=000226023.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000226023

0 1
O -2.983594 -2.792623 0.156575
O -6.163622 0.503819 0.208040
O 5.778480 -0.156370 0.802262
C -0.476132 0.536578 -0.427237
C 0.129979 -0.789983 0.111861
C 1.544154 -0.956054 -0.465634
C 2.475834 0.230843 -0.067244
C -1.903163 0.823804 0.171438
C -2.580605 -0.506331 0.634991
C 0.475912 1.741197 -0.251113
C 1.908720 1.488417 -0.750398
C -0.741580 -1.991284 -0.307348
C 3.847990 -0.270515 -0.627303
C 2.360185 -2.203167 -0.088256
C -2.240160 -1.652953 -0.335789
C -2.720656 1.506297 -0.961112
C 3.824627 -1.803245 -0.382545
C -4.095844 -0.384389 0.850640
C -1.852787 1.748601 1.400659
C 2.586619 0.440373 1.449357
C -4.203063 1.675181 -0.630673
C -4.822789 0.310358 -0.300709
C 5.041915 0.407406 0.024032
C 5.278266 1.837807 -0.382017
H -0.602465 0.389302 -1.531422
H 0.178130 -0.744012 1.224878
H 1.446811 -0.953179 -1.583005
H -2.146096 -0.789214 1.630883
H 0.530433 2.031559 0.817126
H 0.052692 2.614220 -0.782998
H 1.916375 1.371211 -1.849244
H 2.545971 2.368969 -0.536531
H -0.427112 -2.374553 -1.294648
H -0.570109 -2.823645 0.405308
H 3.891809 -0.075306 -1.723184
H 2.054951 -3.087631 -0.666921
H 2.227049 -2.465504 0.974832
H -2.597158 -1.440390 -1.365242
H -2.622415 0.915739 -1.893343
H -2.278691 2.496076 -1.184392
H 4.484331 -2.068654 0.466966
H 4.219375 -2.340334 -1.258493
H -4.529778 -1.398591 1.003964
H -4.306112 0.163015 1.791637
H -1.146059 1.382210 2.152369
H -1.568240 2.772249 1.138836
H -2.836655 1.814326 1.883726
H 3.104765 -0.397082 1.934914
H 3.141637 1.350929 1.695767
H 1.600329 0.521345 1.920989
H -4.337847 2.357911 0.231851
H -4.732232 2.152178 -1.474410
H -4.889359 -0.337361 -1.200720
H -2.831577 -3.571118 -0.406235
H 5.745361 1.894170 -1.373462
H 4.346088 2.420460 -0.420877
H 5.961375 2.338808 0.319316
H -6.734765 0.907633 -0.466010


%chk=000226023-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000226023

0 1
O -3.089249 -2.827477 -0.312304
O -6.327627 0.400001 -0.058626
O 5.763325 0.158249 0.871745
C -0.500178 0.555459 -0.299192
C 0.116873 -0.779611 0.226825
C 1.565224 -0.926072 -0.279266
C 2.496726 0.282344 0.057730
C -1.967466 0.800906 0.258247
C -2.679382 -0.579093 0.560344
C 0.442019 1.777301 -0.098505
C 1.889315 1.539407 -0.608802
C -0.745244 -1.990163 -0.249746
C 3.844643 -0.256388 -0.586060
C 2.388206 -2.164265 0.146833
C -2.235633 -1.631920 -0.475321
C -2.756078 1.590703 -0.837788
C 3.861575 -1.777076 -0.213675
C -4.219226 -0.458381 0.712522
C -1.950348 1.605594 1.587175
C 2.685062 0.496906 1.583887
C -4.269281 1.726632 -0.559049
C -4.895644 0.327329 -0.416229
C 5.098577 0.500844 -0.145395
C 5.521839 1.694996 -0.994129
H -0.595051 0.420828 -1.401899
H 0.118901 -0.761139 1.336564
H 1.497909 -0.947676 -1.393355
H -2.301566 -0.944911 1.539071
H 0.491634 2.046247 0.971784
H 0.015566 2.657253 -0.619023
H 1.879805 1.401561 -1.711058
H 2.496652 2.441856 -0.395863
H -0.317040 -2.405504 -1.186348
H -0.711043 -2.794703 0.510591
H 3.739362 -0.131415 -1.683837
H 2.062083 -3.085770 -0.367113
H 2.281745 -2.343433 1.233628
H -2.378123 -1.236905 -1.505492
H -2.629411 1.073883 -1.812936
H -2.303005 2.594381 -0.958793
H 4.548038 -1.939431 0.635173
H 4.242397 -2.373552 -1.062110
H -4.652522 -1.470584 0.766387
H -4.467100 0.054310 1.661987
H -1.253512 1.152208 2.317733
H -1.648650 2.656975 1.433913
H -2.950255 1.615819 2.054528
H 3.277311 -0.312319 2.042795
H 3.227670 1.440278 1.779159
H 1.718871 0.552984 2.112967
H -4.457979 2.297365 0.370518
H -4.752052 2.285643 -1.387662
H -4.782381 -0.218593 -1.380796
H -2.767647 -3.531047 -0.931234
H 5.937288 1.330612 -1.954777
H 4.658128 2.337359 -1.244478
H 6.295322 2.282125 -0.474639
H -6.799878 0.928569 -0.751899


