%chk=000286950.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000286950

0 1
O 3.505858 -1.019171 1.077765
O 2.070373 -2.187580 -0.713807
O 3.138832 -1.561336 -1.463025
O -5.209862 0.091559 0.625804
O -4.042455 -1.612755 -0.272631
C 1.252352 -1.201605 -0.016893
C 0.700685 -0.251075 -1.116599
C 3.335733 0.172606 0.253216
C 2.160744 -0.456227 0.973868
C -0.477094 0.651039 -0.637141
C 3.202164 -0.138536 -1.250316
C -1.558813 -0.289411 -0.015039
C 1.891371 0.509023 -1.743811
C 0.163949 -2.051420 0.633911
C -0.990642 -1.168279 1.115024
C 4.108756 1.417572 0.650741
C -2.852886 0.462437 0.428946
C -1.060743 1.354159 -1.899943
C -0.001435 1.711694 0.366728
C -3.100356 1.715169 -0.446270
C -2.585666 1.517234 -1.870793
C 3.745485 1.882406 2.064110
C 5.610690 1.131474 0.540085
C -2.884014 0.860754 1.909770
C -4.037854 -0.501209 0.200806
C -6.426359 -0.686178 0.471038
H 0.292421 -0.936136 -1.908719
H 1.739190 -0.106439 1.908102
H 4.095547 0.124086 -1.852196
H -1.865473 -0.990777 -0.843505
H 1.837293 0.451980 -2.845474
H 1.867378 1.583663 -1.484035
H 0.587456 -2.637023 1.474157
H -0.197363 -2.809739 -0.093564
H -1.796687 -1.819413 1.511795
H -0.648618 -0.542089 1.961182
H 3.841077 2.234752 -0.068025
H -0.787662 0.790546 -2.813113
H -0.582560 2.343963 -2.019955
H 0.911310 2.211979 0.020530
H -0.765087 2.485538 0.516949
H 0.217353 1.273370 1.345976
H -2.587893 2.587315 0.011890
H -4.177985 1.972814 -0.449851
H -3.070937 0.631642 -2.328294
H -2.882144 2.376724 -2.502169
H 3.926704 1.085268 2.798854
H 4.351747 2.743725 2.366067
H 2.693864 2.175842 2.138595
H 5.891670 0.273669 1.169266
H 6.208908 1.988586 0.864870
H 5.907605 0.885401 -0.484519
H -3.790538 1.440080 2.139494
H -2.893928 -0.007864 2.578199
H -2.018642 1.475239 2.179342
H -7.192548 -0.015701 0.872367
H -6.346057 -1.611874 1.049392
H -6.587416 -0.908176 -0.588452


%chk=000286950-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000286950

0 1
O 3.578186 -1.132418 1.093193
O 2.000305 -2.274899 -0.802307
O 3.203255 -1.620670 -1.569455
O -5.259708 0.000633 0.736540
O -3.985922 -1.607295 -0.338091
C 1.242909 -1.235775 -0.039496
C 0.696619 -0.222714 -1.099130
C 3.361382 0.102104 0.243106
C 2.200988 -0.533198 0.939813
C -0.455221 0.732712 -0.604002
C 3.232548 -0.174135 -1.274330
C -1.566639 -0.200602 0.005883
C 1.920071 0.481242 -1.780570
C 0.113771 -2.042089 0.624241
C -1.017499 -1.116891 1.129514
C 4.116182 1.356287 0.685067
C -2.900566 0.528204 0.419362
C -1.030223 1.469862 -1.878775
C 0.046106 1.796463 0.412832
C -3.188859 1.740218 -0.544663
C -2.580631 1.510143 -1.940110
C 3.770554 1.782838 2.129380
C 5.642231 1.120597 0.534183
C -2.939382 1.034073 1.890962
C -4.052868 -0.488102 0.223822
C -6.436098 -0.885487 0.565317
H 0.226631 -0.879860 -1.858709
H 1.788777 -0.143724 1.876628
H 4.116862 0.162880 -1.845836
H -1.853189 -0.886474 -0.818185
H 1.871631 0.368406 -2.876745
H 1.949498 1.566067 -1.564768
H 0.527824 -2.647491 1.451026
H -0.294832 -2.744781 -0.127137
H -1.835415 -1.756777 1.510859
H -0.661193 -0.517518 1.990119
H 3.820190 2.178432 -0.002703
H -0.652735 0.981710 -2.797676
H -0.641328 2.507074 -1.897190
H 0.967875 2.289381 0.053829
H -0.703025 2.594265 0.552249
H 0.264568 1.369033 1.406549
H -2.756436 2.656907 -0.098780
H -4.279082 1.910128 -0.602640
H -2.972602 0.563079 -2.360156
H -2.899788 2.313140 -2.631801
H 3.963893 0.949842 2.829676
H 4.396277 2.640497 2.435291
H 2.712285 2.086013 2.227498
H 5.968002 0.319528 1.220956
H 6.203069 2.041135 0.776904
H 5.918075 0.816356 -0.492095
H -3.877269 1.584949 2.072167
H -2.893576 0.205943 2.619002
H -2.092039 1.711598 2.087344
H -7.273047 -0.328268 1.009070
H -6.272358 -1.842527 1.088465
H -6.612237 -1.086748 -0.504797


