%chk=000254075.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000254075

0 1
O 1.133524 -1.937694 0.744859
O 5.437460 -0.336333 0.098541
O -6.536696 -0.397847 0.267179
O 6.326241 1.556417 -0.836842
C -0.332190 -2.001382 0.467885
C -0.914957 -0.667220 0.056660
C -0.149608 0.382158 -0.318535
C -0.750308 1.695918 -0.745300
C 1.310328 0.262283 -0.291228
C 1.877365 -0.912092 0.266842
C -0.445034 -3.036884 -0.649642
C -0.855979 -2.504547 1.809194
C -2.391231 -0.609991 0.069241
C -0.721029 2.711409 0.407660
C 2.188653 1.254980 -0.754259
C -1.270912 4.074664 -0.032058
C 3.266404 -1.085872 0.391453
C -3.125091 -1.014345 -1.052514
C -3.067011 -0.140635 1.214511
C 3.571851 1.112827 -0.658935
C 4.082100 -0.055349 -0.078488
C -1.238978 5.087417 1.110241
C -4.523836 -0.967342 -1.048804
C -4.454088 -0.085305 1.241885
C -5.171859 -0.503996 0.100837
C 6.486302 0.497693 -0.294132
C -7.384761 -0.792918 -0.836982
C 7.744592 -0.195267 0.094104
H -0.209891 2.096420 -1.627206
H -1.796967 1.554624 -1.089998
H 0.154479 -3.927070 -0.418716
H -0.074856 -2.639144 -1.602059
H -1.482414 -3.356674 -0.795542
H -0.297159 -3.389194 2.141711
H -1.917345 -2.772077 1.750736
H -0.741138 -1.742787 2.590413
H -1.313129 2.321314 1.258867
H 0.312739 2.823089 0.789460
H 1.782226 2.166544 -1.200844
H -0.685581 4.460623 -0.889338
H -2.309424 3.960606 -0.401022
H 3.678809 -1.987947 0.834259
H -2.602876 -1.366958 -1.942081
H -2.490917 0.180994 2.082578
H 4.237539 1.895599 -1.025948
H -1.630907 6.058980 0.789144
H -0.219249 5.250272 1.477860
H -1.844215 4.755085 1.961510
H -5.076935 -1.284562 -1.925501
H -4.996987 0.272349 2.113615
H -7.247169 -1.854265 -1.061806
H -7.192669 -0.161813 -1.709235
H -8.386422 -0.604418 -0.428740
H 8.329210 0.422633 0.794942
H 8.377744 -0.377425 -0.789391
H 7.560449 -1.168747 0.580358


%chk=000254075-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000254075

0 1
O 1.035568 -1.856952 0.994953
O 5.475060 -0.318745 0.256551
O -6.713419 -0.391056 0.457138
O 6.436946 1.524413 -0.857528
C -0.328819 -2.065555 0.373499
C -0.981040 -0.703035 0.054578
C -0.197332 0.368392 -0.312112
C -0.794545 1.711262 -0.707265
C 1.276454 0.228092 -0.285455
C 1.847002 -0.886338 0.401374
C -0.123149 -2.899548 -0.914348
C -1.074834 -2.867125 1.450778
C -2.477775 -0.626255 0.116035
C -0.629003 2.814744 0.374533
C 2.176861 1.177539 -0.832119
C -1.149682 4.189885 -0.100388
C 3.236355 -1.019942 0.567969
C -3.293064 -1.139898 -0.923587
C -3.128658 -0.045513 1.241909
C 3.577716 1.063043 -0.704862
C 4.090816 -0.043905 0.013770
C -1.008845 5.286134 0.977514
C -4.704739 -1.082957 -0.858904
C -4.530811 0.018132 1.325749
C -5.326280 -0.503327 0.274544
C 6.551221 0.476048 -0.188681
C -7.579806 -0.916418 -0.600463
C 7.856712 -0.137028 0.271905
H -0.323802 2.066456 -1.647011
H -1.869742 1.587366 -0.926594
H 0.396533 -3.844038 -0.673236
H 0.476981 -2.339844 -1.652933
H -1.097977 -3.144891 -1.372070
H -0.498764 -3.776525 1.693377
H -2.076456 -3.160744 1.095553
H -1.190565 -2.270321 2.370958
H -1.177201 2.508487 1.287888
H 0.436685 2.902554 0.663984
H 1.780231 2.042476 -1.373444
H -0.596339 4.493513 -1.013075
H -2.213797 4.095057 -0.398453
H 3.647813 -1.873288 1.112026
H -2.820978 -1.572240 -1.813299
H -2.521646 0.356175 2.061010
H 4.245192 1.806565 -1.138251
H -1.385680 6.260770 0.616496
H 0.049527 5.419824 1.270775
H -1.577208 5.020403 1.888797
H -5.296863 -1.481829 -1.688195
H -5.031227 0.464075 2.190763
H -7.428790 -2.004501 -0.741985
H -7.409324 -0.390383 -1.560111
H -8.605537 -0.727215 -0.251750
H 8.389389 0.585083 0.915328
H 8.498201 -0.327758 -0.605922
H 7.690632 -1.072514 0.823689


