%chk=000217608.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000217608

0 1
O 4.014402 -0.546915 -0.265313
O 0.455175 -3.477055 -0.681146
O -1.926991 -2.614114 -0.479492
C -0.115290 -1.150298 -0.264563
C 2.659491 -0.663926 -0.252022
C 0.826331 -2.205743 -0.470505
C 2.210956 -1.969709 -0.464077
C 0.398291 0.147667 -0.056963
C 1.755603 0.411456 -0.046216
C 4.613845 0.780824 -0.056074
C -1.542635 -1.452602 -0.280045
C 6.076834 0.508142 -0.138384
C 7.026109 1.446623 -0.005939
C -2.534074 -0.375830 -0.057318
C -4.895970 0.383283 0.099526
C -3.850790 -0.630581 -0.107362
C 8.479388 1.105636 -0.099417
C 6.705557 2.888062 0.242225
C -4.763477 1.375134 1.085105
C -6.053687 0.347404 -0.698105
C -5.775536 2.321686 1.266310
C -7.056734 1.301787 -0.518130
C -6.920267 2.288988 0.464262
H 2.909633 -2.788744 -0.621949
H -0.307252 0.970963 0.100093
H 2.114792 1.419640 0.115457
H 4.254260 1.449603 -0.858931
H 4.298951 1.146302 0.938078
H 6.318760 -0.543195 -0.319781
H -2.141084 0.622385 0.137901
H -4.210645 -1.648947 -0.323081
H 8.963902 1.655141 -0.918982
H 9.008578 1.365886 0.828264
H 8.656568 0.036787 -0.280914
H 6.098952 3.308961 -0.571945
H 6.140377 3.017503 1.175873
H 7.603153 3.514508 0.325386
H -3.876506 1.399627 1.716724
H -6.165588 -0.421309 -1.462212
H -5.671122 3.086212 2.034906
H -7.948959 1.275465 -1.142452
H -0.591359 -3.599277 -0.679292
H -7.706241 3.029271 0.604999


%chk=000217608-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000217608

0 1
O 4.118139 -0.650514 -0.352834
O 0.302588 -3.409741 -1.025432
O -1.996756 -2.500652 -0.751955
C -0.106852 -1.067168 -0.400333
C 2.726627 -0.724848 -0.351053
C 0.790707 -2.170046 -0.704559
C 2.188636 -1.984806 -0.675664
C 0.482887 0.189919 -0.076605
C 1.869222 0.379499 -0.046644
C 4.754130 0.642281 -0.026168
C -1.555584 -1.307115 -0.443224
C 6.245706 0.423697 -0.108407
C 7.169953 1.396650 0.118355
C -2.526622 -0.237327 -0.147266
C -4.970185 0.450576 0.072715
C -3.874361 -0.487759 -0.191752
C 8.657354 1.117996 0.021496
C 6.759579 2.819990 0.481989
C -4.766596 1.818312 0.425153
C -6.310019 -0.027033 -0.026143
C -5.861208 2.669026 0.668361
C -7.406735 0.824673 0.217418
C -7.186799 2.177378 0.566228
H 2.848485 -2.823755 -0.907084
H -0.158210 1.044834 0.158561
H 2.276565 1.361188 0.206471
H 4.408516 1.414790 -0.747823
H 4.437997 0.960760 0.991486
H 6.550103 -0.596738 -0.368849
H -2.146555 0.756026 0.107980
H -4.158812 -1.516534 -0.457332
H 9.132643 1.765785 -0.741676
H 9.164771 1.336562 0.982082
H 8.862626 0.066804 -0.244133
H 6.131385 3.277952 -0.307734
H 6.169750 2.847958 1.419726
H 7.639935 3.469708 0.624249
H -3.749156 2.216058 0.508562
H -6.481370 -1.076118 -0.296341
H -5.688215 3.716758 0.938132
H -8.428145 0.437547 0.136241
H -0.744492 -3.328695 -0.988567
H -8.035932 2.842826 0.756870


