%chk=000236326.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000236326

0 1
O 4.841013 0.423525 0.776787
O -4.289543 0.375488 -0.037359
O 5.363907 -1.143841 -2.211029
O -4.301371 -1.820584 -0.582657
C 2.486548 -0.511840 0.889009
C 3.429162 0.624084 0.443983
C 1.146942 -0.323037 0.113364
C 0.565239 1.105070 0.349043
C -0.741477 1.205254 -0.448625
C -1.788480 0.169867 0.078316
C 4.464298 0.378925 -0.635079
C 2.908026 2.029737 0.643110
C 1.569142 2.188573 -0.084210
C 0.122558 -1.424654 0.462767
C 3.151352 -1.876788 0.573287
C -1.239378 -1.232344 -0.224652
C -1.517308 2.534104 -0.477925
C -3.034030 0.592707 -0.758184
C 2.295566 -0.423952 2.412181
C -2.946120 2.127250 -0.907030
C 3.591752 -2.031797 -0.879924
C 4.571780 -0.969656 -1.315194
C -2.104843 0.317336 1.572076
C -4.829246 -0.889684 -0.021253
C -6.096470 -0.853592 0.792236
C -7.199396 -1.646732 0.105050
H 1.380276 -0.413873 -0.977381
H 0.351193 1.233472 1.438374
H -0.501615 0.945358 -1.513135
H 4.879906 1.205727 -1.222522
H 3.640659 2.779223 0.283651
H 2.796895 2.235749 1.727533
H 1.150212 3.191858 0.121831
H 1.729209 2.148001 -1.179149
H -0.026248 -1.465949 1.559400
H 0.533911 -2.412390 0.177449
H 2.462882 -2.700552 0.842418
H 4.039645 -1.993800 1.232872
H -1.144649 -1.386250 -1.315732
H -1.956752 -2.008749 0.110048
H -1.072670 3.255809 -1.179800
H -1.523157 3.019700 0.512152
H -3.107555 0.053474 -1.721582
H 1.770513 -1.300972 2.805300
H 3.263538 -0.360342 2.927029
H 1.712240 0.458617 2.699830
H -3.711695 2.612786 -0.273375
H -3.161687 2.435410 -1.942146
H 2.716278 -2.002795 -1.565153
H 4.043190 -3.035214 -1.038118
H -2.761353 -0.489686 1.914152
H -1.196134 0.290946 2.183600
H -2.620874 1.261799 1.781261
H -5.878607 -1.274587 1.798213
H -6.414392 0.197630 0.967526
H -6.869457 -2.668957 -0.133697
H -8.087280 -1.724789 0.743681
H -7.509943 -1.179171 -0.838018


%chk=000236326-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000236326

0 1
O 4.970718 0.244680 0.385639
O -4.342823 0.389980 0.048042
O 4.506286 -1.263245 -2.841103
O -4.441791 -1.485104 -1.349481
C 2.573437 -0.524931 0.915389
C 3.495854 0.545209 0.288353
C 1.142418 -0.299546 0.290142
C 0.643151 1.178512 0.468337
C -0.731926 1.311773 -0.216106
C -1.806793 0.337780 0.368761
C 4.269033 0.213550 -0.968642
C 3.081550 1.993165 0.491905
C 1.665932 2.192566 -0.104099
C 0.086384 -1.330663 0.778666
C 3.160107 -1.938131 0.605269
C -1.316585 -1.112953 0.150575
C -1.444838 2.691175 -0.245600
C -3.014817 0.781773 -0.507477
C 2.581562 -0.362830 2.461856
C -2.938741 2.334467 -0.557831
C 3.392888 -2.229491 -0.890944
C 4.116748 -1.119946 -1.648515
C -2.122219 0.595612 1.865812
C -4.954568 -0.761892 -0.465390
C -6.306734 -0.972388 0.200769
C -7.025012 -2.241768 -0.289811
H 1.244911 -0.443307 -0.810600
H 0.520841 1.394277 1.550752
H -0.584532 1.005850 -1.279218
H 4.582238 1.025924 -1.638110
H 3.813475 2.666237 0.009372
H 3.079166 2.237362 1.571106
H 1.322528 3.225005 0.095443
H 1.713415 2.077583 -1.207549
H 0.008799 -1.292654 1.882162
H 0.424573 -2.353924 0.527643
H 2.497491 -2.712995 1.031822
H 4.125904 -2.016026 1.136991
H -1.270981 -1.321047 -0.937841
H -2.032024 -1.841154 0.578669
H -1.015016 3.366069 -1.005818
H -1.353692 3.201896 0.731492
H -2.929164 0.324074 -1.511408
H 2.074262 -1.216916 2.944925
H 3.623134 -0.339116 2.830444
H 2.080463 0.559501 2.801051
H -3.626837 2.756350 0.195464
H -3.260814 2.714510 -1.542541
H 2.432132 -2.387040 -1.423362
H 3.961823 -3.168080 -1.027817
H -2.937724 -0.072213 2.195110
H -1.248346 0.404780 2.511325
H -2.455506 1.631806 2.050082
H -6.145499 -0.998031 1.295549
H -6.918137 -0.068758 0.012782
H -6.421856 -3.143015 -0.085732
H -8.000239 -2.350905 0.216614
H -7.197907 -2.202494 -1.378719


