%chk=000228495.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000228495

0 1
O 3.307157 -0.608898 1.855040
O -5.678820 -0.648341 0.924966
O 5.276275 0.110138 -0.835436
C -0.242576 1.023339 -0.328190
C -0.981476 -0.332620 -0.123571
C 1.102115 0.931215 0.406622
C 1.997101 -0.190658 -0.211751
C -2.372172 -0.318745 -0.827989
C -3.223575 0.876226 -0.290990
C -0.109918 -1.525260 -0.577398
C 1.300130 -1.535845 0.037524
C 3.335558 0.044688 0.574567
C -1.088949 2.194096 0.198126
C 2.026563 2.160337 0.451609
C -2.475754 2.214646 -0.452920
C 3.425541 1.581027 0.755750
C -3.148800 -1.637915 -0.567476
C -3.650299 0.688696 1.176960
C 2.272802 0.003374 -1.708447
C -2.216491 -0.177853 -2.356804
C -3.547937 -1.841436 0.894315
C -4.342043 -0.651844 1.450715
C 4.580885 -0.563874 -0.109975
C 4.845463 -2.006037 0.173932
H -0.061530 1.177451 -1.420133
H -1.169346 -0.453075 0.972423
H 0.878633 0.649389 1.468508
H -4.154518 0.929741 -0.908539
H -0.024521 -1.525143 -1.681997
H -0.623225 -2.471189 -0.315555
H 1.250989 -1.744758 1.123344
H 1.889295 -2.366890 -0.391732
H -0.569807 3.150683 -0.000377
H -1.190478 2.129190 1.298353
H 1.710361 2.885891 1.216265
H 2.023545 2.700768 -0.510456
H -3.078945 3.035501 -0.020564
H -2.379883 2.452977 -1.530101
H 4.188989 2.004246 0.073111
H 3.763077 1.828835 1.775210
H -2.544242 -2.501282 -0.906755
H -4.058149 -1.654888 -1.199677
H -2.769262 0.783673 1.840973
H -4.337014 1.509558 1.465043
H 2.915492 0.872735 -1.901043
H 2.769715 -0.868260 -2.146985
H 1.342018 0.163699 -2.267260
H -1.642576 0.718345 -2.620159
H -1.687995 -1.035733 -2.786298
H -3.185000 -0.104008 -2.860240
H -4.159887 -2.760746 0.989109
H -2.648498 -2.007177 1.517548
H -4.540967 -0.780108 2.541478
H 2.626150 -0.200656 2.429319
H 4.819549 -2.200760 1.261673
H 4.076305 -2.651512 -0.271381
H 5.823209 -2.325253 -0.210599
H -5.670860 -0.545898 -0.045685


%chk=000228495-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000228495

0 1
O 3.177425 -0.558052 1.949362
O -5.740624 -0.691814 0.960368
O 5.307727 -0.092956 -0.845428
C -0.246855 1.048509 -0.378611
C -0.979264 -0.329815 -0.236442
C 1.135433 0.941269 0.298385
C 2.042259 -0.188127 -0.295317
C -2.430301 -0.301842 -0.855215
C -3.250503 0.879804 -0.211603
C -0.096595 -1.497958 -0.763318
C 1.320437 -1.543358 -0.126250
C 3.348402 0.027860 0.597850
C -1.087843 2.199639 0.224260
C 2.064846 2.178937 0.344478
C -2.518812 2.239836 -0.358801
C 3.476583 1.585155 0.670476
C -3.206058 -1.632260 -0.583716
C -3.634773 0.621358 1.274352
C 2.391361 0.056461 -1.788354
C -2.382883 -0.120571 -2.399517
C -3.548273 -1.890882 0.900743
C -4.360504 -0.721951 1.501132
C 4.602520 -0.667049 0.028362
C 4.936229 -2.054208 0.542307
H -0.095107 1.268566 -1.455742
H -1.095218 -0.494847 0.859128
H 0.914499 0.649865 1.356217
H -4.201616 0.955390 -0.788890
H 0.000688 -1.427627 -1.863704
H -0.595653 -2.463549 -0.556920
H 1.242033 -1.784863 0.951957
H 1.901228 -2.361150 -0.597373
H -0.583604 3.167311 0.036414
H -1.129261 2.080075 1.327395
H 1.740827 2.918618 1.097292
H 2.070628 2.693107 -0.635072
H -3.109748 3.031075 0.144271
H -2.465875 2.520814 -1.428844
H 4.238321 1.921293 -0.052921
H 3.832464 1.868323 1.677444
H -2.644862 -2.491669 -0.995543
H -4.151063 -1.599156 -1.170258
H -2.732171 0.639276 1.914872
H -4.290318 1.442381 1.623396
H 3.012995 0.954822 -1.935380
H 2.963382 -0.796498 -2.195446
H 1.481301 0.166169 -2.401891
H -1.770473 0.740445 -2.718084
H -1.976492 -1.021539 -2.894692
H -3.404696 0.036630 -2.795473
H -4.134357 -2.823632 0.998386
H -2.621083 -2.025660 1.493023
H -4.529176 -0.884675 2.580134
H 2.439931 -0.078759 2.404450
H 5.232023 -1.987809 1.605224
H 4.047077 -2.708942 0.520998
H 5.756238 -2.485092 -0.052989
H -5.691389 -0.522877 -0.014882


