%chk=000253034.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000253034

0 1
O -0.929301 -2.817443 -0.435993
O -2.375237 -3.291351 -2.122726
O -1.601553 2.667026 -2.235672
O 1.022177 0.012388 -1.949008
O 5.582542 0.239707 2.363723
C -2.142787 -0.266559 -0.319121
C -2.923983 -1.588196 -0.471539
C -1.868334 0.360428 -1.695075
C -2.908096 0.659374 0.605012
C 0.162080 -3.720837 -0.912686
C -2.087440 -2.654018 -1.135515
C -1.189945 1.706015 -1.630209
C -4.004994 1.405678 0.152275
C -2.515305 0.756206 1.949292
C 0.050382 1.829931 -0.755423
C -0.376052 -5.144076 -0.940458
C 0.624172 -3.222668 -2.271662
C 1.196870 -3.497319 0.188436
C -4.695169 2.244819 1.031670
C -3.209045 1.594119 2.826131
C 1.102261 0.774466 -1.003912
C -4.299207 2.341495 2.369176
C 2.246816 0.709546 -0.061409
C 3.240932 -0.264591 -0.316795
C 2.387041 1.557201 1.045885
C 4.340715 -0.394907 0.514220
C 3.485373 1.449539 1.899591
C 4.454582 0.472020 1.625448
C 5.826730 1.070272 3.527720
H -1.150618 -0.519405 0.149063
H -3.855089 -1.437638 -1.057606
H -3.250599 -1.949088 0.528125
H -2.803277 0.449437 -2.287613
H -1.211807 -0.322075 -2.293876
H -4.318642 1.341326 -0.889621
H -1.674491 0.170011 2.316501
H 0.499551 2.837153 -0.923345
H -0.278288 1.832356 0.306967
H -1.173899 -5.250351 -1.694030
H -0.806404 -5.435121 0.023858
H 0.407817 -5.865574 -1.191293
H 1.520575 -3.746831 -2.614772
H 0.856340 -2.144398 -2.253148
H -0.153298 -3.362917 -3.038295
H 2.088592 -4.109833 0.023042
H 1.509078 -2.445758 0.232012
H 0.789180 -3.748922 1.175122
H -5.543089 2.826073 0.671016
H -2.901295 1.663124 3.868109
H -4.838042 2.995373 3.051997
H 3.125589 -0.917262 -1.190987
H 1.633868 2.319367 1.257617
H 5.115439 -1.137529 0.332496
H 3.577465 2.114834 2.751446
H 5.940718 2.116600 3.230240
H 5.029851 0.935049 4.264341
H 6.777350 0.660529 3.896260


%chk=000253034-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000253034

0 1
O -1.123559 -3.036481 -0.605837
O -2.721923 -3.219329 -2.318924
O -1.278152 2.541466 -2.391180
O 1.200872 -0.275419 -1.618013
O 5.900131 0.870069 2.594410
C -2.166684 -0.321352 -0.277300
C -3.031616 -1.610447 -0.471548
C -1.804258 0.282876 -1.661816
C -2.892206 0.647471 0.660416
C -0.140289 -4.053844 -1.197511
C -2.307606 -2.702557 -1.253853
C -1.004488 1.579282 -1.624981
C -3.807576 1.621592 0.183900
C -2.685137 0.545203 2.061672
C 0.153541 1.708887 -0.627332
C -0.826462 -5.432469 -1.263095
C 0.340364 -3.553495 -2.573622
C 0.997393 -4.030685 -0.162689
C -4.496174 2.466663 1.083572
C -3.371821 1.387301 2.964014
C 1.270932 0.658412 -0.761287
C -4.283078 2.353155 2.476421
C 2.450904 0.776931 0.145132
C 3.507331 -0.173925 0.014668
C 2.570503 1.788615 1.134360
C 4.635605 -0.116975 0.839304
C 3.699533 1.859265 1.974081
C 4.737682 0.902160 1.826193
C 6.075622 1.899754 3.626708
H -1.232783 -0.653133 0.215623
H -3.965207 -1.371507 -1.009363
H -3.300953 -2.007699 0.524916
H -2.703240 0.456605 -2.279999
H -1.169318 -0.449691 -2.199248
H -3.980288 1.733958 -0.892112
H -1.980288 -0.203874 2.446237
H 0.582489 2.720889 -0.749391
H -0.262177 1.656459 0.400501
H -1.652279 -5.428656 -1.991538
H -1.220545 -5.718559 -0.271536
H -0.086373 -6.193664 -1.571730
H 1.149971 -4.214744 -2.934485
H 0.740356 -2.527998 -2.491826
H -0.477585 -3.569772 -3.311101
H 1.787621 -4.743594 -0.459705
H 1.438565 -3.020935 -0.100440
H 0.623745 -4.315754 0.836159
H -5.195827 3.215825 0.696052
H -3.196853 1.292455 4.041849
H -4.817367 3.009622 3.172272
H 3.412289 -0.947709 -0.754176
H 1.779492 2.535094 1.259937
H 5.452764 -0.838389 0.747425
H 3.763412 2.650501 2.726546
H 6.097723 2.911979 3.180312
H 5.275028 1.841330 4.388330
H 7.047045 1.675633 4.089631


