%chk=000250298.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000250298

0 1
O -4.407754 -0.097751 0.333868
O 4.557209 0.557999 0.490927
O 6.212297 -0.776869 1.039160
O -4.391771 -2.093328 -0.735730
C -1.028947 1.131203 -0.389529
C -1.915609 -0.092320 0.016399
C 0.394346 0.961218 0.155129
C 1.002813 -0.305029 -0.524299
C -1.353062 -1.328155 -0.701848
C 2.433503 -0.535613 0.016560
C 0.116232 -1.551132 -0.305268
C -3.304569 0.399205 -0.492234
C -1.867755 2.351109 0.030151
C 1.265691 2.199057 -0.120138
C -3.325046 1.926473 -0.265566
C 3.289274 0.722575 -0.226873
C 2.694219 1.989061 0.388580
C -1.983322 -0.330214 1.530119
C 3.127376 -1.751405 -0.623973
C 4.658543 -1.657337 -0.600145
C 5.214258 -0.650287 0.372876
C -4.866358 -1.374174 0.113060
C -5.983695 -1.657931 1.056699
H -0.957572 1.154549 -1.508419
H 0.354541 0.795787 1.259647
H 1.063508 -0.113971 -1.623350
H -1.440481 -1.214127 -1.798538
H -1.960313 -2.224126 -0.460459
H 2.377992 -0.703159 1.121962
H 0.167002 -1.865273 0.755340
H 0.516551 -2.400612 -0.890237
H -3.510911 0.099040 -1.536955
H -1.586957 3.256755 -0.528511
H -1.731399 2.585546 1.099250
H 0.823822 3.085724 0.373964
H 1.275350 2.432426 -1.201805
H -3.996463 2.174304 0.577946
H -3.729335 2.450226 -1.145888
H 3.543640 0.857879 -1.298326
H 3.333031 2.861472 0.150173
H 2.714868 1.911820 1.495176
H -2.513876 0.482052 2.041077
H -2.521229 -1.256702 1.757700
H -0.984526 -0.405532 1.974694
H 2.792404 -1.878002 -1.672759
H 2.806337 -2.670857 -0.094887
H 5.044175 -1.401114 -1.611138
H 5.098410 -2.652564 -0.370475
H -6.185578 -0.814672 1.735909
H -5.758969 -2.542520 1.672656
H -6.912098 -1.875805 0.505427


%chk=000250298-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000250298

0 1
O -4.463966 -0.244403 0.330125
O 4.719825 0.571259 0.262930
O 6.509526 -0.831821 0.554285
O -4.602614 -1.806448 -1.407177
C -1.025217 1.109647 -0.224578
C -1.912974 -0.065638 0.305037
C 0.442712 0.998358 0.225164
C 1.020381 -0.348611 -0.320730
C -1.350703 -1.396561 -0.249545
C 2.509976 -0.531148 0.084232
C 0.151110 -1.564027 0.107371
C -3.271649 0.395407 -0.299710
C -1.844735 2.386544 0.108119
C 1.308935 2.192719 -0.240971
C -3.336768 1.927232 -0.044721
C 3.343446 0.703343 -0.322755
C 2.779351 2.023923 0.204720
C -2.012539 -0.112239 1.852478
C 3.155668 -1.817857 -0.513250
C 4.658664 -1.620922 -0.878674
C 5.390587 -0.645696 0.038317
C -5.038621 -1.337081 -0.330248
C -6.245558 -1.848970 0.428099
H -1.020347 1.014049 -1.336502
H 0.482941 0.971835 1.336220
H 0.981112 -0.284604 -1.434255
H -1.471195 -1.410421 -1.351707
H -1.924718 -2.259937 0.138588
H 2.564700 -0.584195 1.192617
H 0.266832 -1.722317 1.198983
H 0.530174 -2.483370 -0.378225
H -3.296927 0.149070 -1.378581
H -1.599338 3.223694 -0.568336
H -1.639523 2.732047 1.138632
H 0.906626 3.137623 0.170026
H 1.254733 2.278880 -1.347262
H -3.919129 2.118479 0.873537
H -3.851505 2.445975 -0.871563
H 3.443318 0.747601 -1.429284
H 3.405181 2.862663 -0.150687
H 2.841790 2.015031 1.310041
H -2.334093 0.853222 2.280500
H -2.757049 -0.869329 2.155293
H -1.049453 -0.380469 2.317913
H 2.612015 -2.120250 -1.428748
H 3.058207 -2.650696 0.204765
H 4.733043 -1.211325 -1.906203
H 5.209585 -2.574515 -0.869452
H -6.404858 -1.283995 1.357532
H -6.106793 -2.919448 0.658271
H -7.140365 -1.767410 -0.213531


