%chk=000271366.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000271366

0 1
O 2.162787 0.078987 0.833164
O 0.442359 2.499898 0.990538
O 0.642525 -2.440760 0.400839
O -4.285289 -0.476496 0.964914
O -5.391357 0.635651 -1.223662
O 2.512019 0.358478 -1.410427
C -2.012648 -0.032135 0.342578
C 0.775125 0.043907 0.653153
C 0.010816 1.230562 0.737849
C 0.108900 -1.186255 0.450894
C -1.389919 1.192361 0.571616
C -1.293346 -1.222485 0.291214
C -3.501117 -0.069075 0.141680
C -3.981853 0.427298 -1.216258
C 2.968532 0.246746 -0.307314
C 1.842610 2.747191 1.271629
C 2.060307 -2.635072 0.631279
C 4.382645 0.249812 0.155403
H -1.952131 2.122672 0.641577
H -1.781560 -2.185604 0.146537
H -3.731789 -0.302461 -2.013805
H -3.554104 1.414324 -1.486697
H 2.400942 2.736440 0.331898
H 2.234222 2.023929 1.994639
H 1.804629 3.758790 1.698255
H 2.399058 -2.072631 1.507695
H 2.608162 -2.360090 -0.273813
H 2.106626 -3.718172 0.808761
H 4.477623 0.124197 1.246071
H 4.882405 1.193593 -0.118386
H 4.954391 -0.560190 -0.326694
H -5.827372 0.049990 -0.550527


%chk=000271366-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000271366

0 1
O 2.349257 0.064203 0.466572
O 0.773605 2.454567 0.267367
O 1.016804 -2.482778 0.289725
O -3.913500 -1.392765 -0.354684
O -5.567360 0.650793 -0.703404
O 2.574932 0.192620 -1.874418
C -1.856588 -0.152569 -0.065656
C 0.932610 -0.010524 0.337043
C 0.171020 1.185254 0.250573
C 0.295226 -1.279254 0.266710
C -1.220486 1.111499 0.043909
C -1.096082 -1.342726 0.062796
C -3.323448 -0.269211 -0.302165
C -4.178596 0.991665 -0.500114
C 3.108709 0.173621 -0.759069
C 1.502611 2.816570 1.505087
C 1.823852 -2.751981 1.501456
C 4.581248 0.251485 -0.436176
H -1.770609 2.053038 -0.039159
H -1.589858 -2.315494 -0.014035
H -3.792641 1.554863 -1.375787
H -4.080695 1.644190 0.392439
H 2.298190 2.085298 1.730821
H 0.797203 2.883522 2.355086
H 1.938246 3.805803 1.301004
H 1.162718 -2.849074 2.383386
H 2.570302 -1.957283 1.672952
H 2.324166 -3.711042 1.301884
H 4.764020 0.201395 0.646407
H 4.991342 1.193415 -0.840093
H 5.107142 -0.576766 -0.941853
H -5.619144 -0.348934 -0.684001


