%chk=000238957.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000238957

0 1
O -2.931341 -0.701842 0.961202
O 2.862993 -0.958979 -0.409787
O -1.808390 0.142588 0.783265
O 2.289153 0.319502 -0.181191
O -2.889545 0.836347 -1.124633
O 0.412345 -0.670821 -1.044186
C -2.648017 -2.078683 0.504610
C 3.187403 -1.579544 0.889303
C -2.469313 -2.115716 -1.003495
C -3.977456 -2.691863 0.965414
C -1.444863 -2.635895 1.254042
C 4.282483 -0.765681 1.571064
C 3.686558 -2.922616 0.348063
C 1.934859 -1.703688 1.744777
C -0.907472 1.990059 -0.343393
C 0.458367 1.714186 -0.505598
C -1.983593 0.942002 -0.342119
C 0.966130 0.315776 -0.635724
C -1.343591 3.316993 -0.217147
C 1.377641 2.774890 -0.558088
C -0.421146 4.366070 -0.258669
C 0.939422 4.095108 -0.432761
H -1.475963 -1.744870 -1.306506
H -2.574599 -3.125740 -1.407133
H -3.204579 -1.467041 -1.505026
H -4.827267 -2.236082 0.440196
H -4.140082 -2.541436 2.039556
H -3.995366 -3.767862 0.765735
H -1.533494 -2.466945 2.332866
H -1.325343 -3.709674 1.082198
H -0.512614 -2.141554 0.920457
H 3.950578 0.266426 1.743127
H 4.566299 -1.192757 2.537688
H 5.183879 -0.707222 0.949249
H 4.406497 -2.780495 -0.469886
H 2.862036 -3.524859 -0.054838
H 4.182272 -3.501659 1.133739
H 1.063617 -2.003148 1.129691
H 2.054771 -2.448755 2.537178
H 1.670363 -0.752754 2.222294
H -2.409331 3.529111 -0.097080
H 2.442041 2.561324 -0.697921
H -0.766407 5.396397 -0.160537
H 1.659566 4.913102 -0.473196


%chk=000238957-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000238957

0 1
O -2.796909 -0.836477 1.093727
O 2.514174 -1.275604 -0.120793
O -1.650008 0.079460 0.663746
O 1.941540 0.134058 0.125872
O -3.307157 1.394220 -0.400726
O 0.282303 -0.494363 -1.435228
C -2.710712 -2.153326 0.343805
C 3.254472 -1.664280 1.135291
C -2.855311 -1.921662 -1.169712
C -3.954531 -2.840440 0.953281
C -1.403570 -2.879553 0.708876
C 4.409394 -0.678842 1.394686
C 3.768219 -3.054763 0.696912
C 2.274929 -1.756052 2.319194
C -0.985403 2.145577 -0.317569
C 0.380700 1.777080 -0.491192
C -2.124103 1.186894 -0.077391
C 0.801543 0.343882 -0.679413
C -1.339768 3.517531 -0.322538
C 1.364174 2.789487 -0.623906
C -0.356514 4.517919 -0.470293
C 1.001373 4.153183 -0.609156
H -1.960696 -1.420191 -1.576255
H -2.962848 -2.892757 -1.686981
H -3.744604 -1.304701 -1.382336
H -4.872009 -2.279689 0.707589
H -3.866384 -2.917009 2.050801
H -4.039201 -3.859418 0.535295
H -1.306698 -2.971864 1.805372
H -1.402764 -3.893266 0.267442
H -0.532738 -2.333582 0.309953
H 4.020302 0.327837 1.621906
H 5.012883 -1.019728 2.255429
H 5.066421 -0.611742 0.510232
H 4.428682 -2.972267 -0.183022
H 2.927589 -3.724448 0.448018
H 4.342088 -3.502768 1.527631
H 1.451158 -2.453684 2.089600
H 2.802339 -2.118658 3.220160
H 1.839808 -0.768107 2.545634
H -2.396063 3.779024 -0.205574
H 2.409784 2.498737 -0.761180
H -0.648711 5.573082 -0.471928
H 1.772327 4.922972 -0.718460


