%chk=000221048.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000221048

0 1
O -1.490832 0.821902 -2.259939
O 2.639271 0.406384 0.743865
O -0.901806 -0.299267 -1.620174
O 1.979380 -0.804238 0.410329
O -3.027212 -0.856098 -0.940856
O 0.084865 0.294664 1.093218
C -2.821727 2.265052 -0.838945
C 3.632853 2.353296 -0.021339
C -2.790551 3.317992 0.274351
C 3.996772 3.269400 -1.196173
C -1.416924 1.952269 -1.346058
C 2.851900 1.132603 -0.506987
C -4.197371 3.662605 0.757042
C 4.770952 4.496975 -0.724020
C -1.115942 -2.230570 -0.336448
C 0.036954 -2.065743 0.448602
C -1.645009 -3.511918 -0.538670
C 0.658579 -3.183126 1.021123
C -1.848106 -1.082327 -0.960593
C 0.616960 -0.711352 0.706649
C -1.022064 -4.624377 0.037026
C 0.127206 -4.460610 0.814840
H -3.463461 2.599837 -1.676067
H -3.300258 1.328107 -0.474691
H 3.033519 2.905625 0.731435
H 4.547617 2.025815 0.513295
H -2.282676 4.234854 -0.082601
H -2.185802 2.944123 1.126088
H 3.077329 3.588447 -1.726454
H 4.599349 2.710389 -1.939739
H -1.002643 2.747433 -1.993030
H -0.703662 1.736339 -0.526169
H 1.872652 1.385392 -0.945262
H 3.420913 0.493230 -1.200513
H -4.813493 4.074666 -0.050033
H -4.716721 2.777180 1.143745
H -4.169135 4.404026 1.563110
H 4.188962 5.095319 -0.013005
H 5.708042 4.219762 -0.226950
H 5.028605 5.149862 -1.566230
H -2.550327 -3.637047 -1.139210
H 1.560526 -3.052778 1.625025
H -1.438490 -5.620397 -0.121813
H 0.613201 -5.328500 1.263128


%chk=000221048-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000221048

0 1
O -2.046150 0.356970 -2.616329
O 2.430828 0.343027 0.924830
O -1.286196 -0.647117 -1.741873
O 1.806916 -0.964901 0.430742
O -3.413650 -1.438795 -1.065166
O -0.275883 0.035953 0.932809
C -2.173270 2.156082 -0.837072
C 3.132034 2.551070 0.329958
C -1.700740 3.584156 -0.470136
C 3.224293 3.652465 -0.756060
C -1.606148 1.707000 -2.187360
C 2.479701 1.277422 -0.228823
C -2.246950 4.041355 0.899709
C 3.877152 4.943981 -0.218456
C -1.363002 -2.556930 -0.333548
C -0.118378 -2.340578 0.327400
C -1.895378 -3.867446 -0.399711
C 0.588478 -3.445083 0.866702
C -2.173722 -1.492007 -1.029272
C 0.393335 -0.956943 0.597916
C -1.192437 -4.959122 0.153256
C 0.058632 -4.749484 0.775497
H -3.278550 2.119746 -0.875174
H -1.843243 1.452177 -0.051905
H 2.535998 2.918653 1.186426
H 4.143693 2.312163 0.709182
H -2.016879 4.301459 -1.255594
H -0.590556 3.609706 -0.448096
H 2.207329 3.881848 -1.134833
H 3.805718 3.273035 -1.620108
H -1.998355 2.316934 -3.026861
H -0.498323 1.751058 -2.208260
H 1.450674 1.478345 -0.582711
H 3.082144 0.827115 -1.040592
H -3.352875 4.045592 0.902309
H -1.911633 3.358056 1.701291
H -1.903242 5.061264 1.152101
H 3.295762 5.360595 0.624844
H 4.903698 4.749086 0.143812
H 3.936810 5.718475 -1.004473
H -2.861418 -4.014230 -0.892651
H 1.540958 -3.267972 1.373872
H -1.617803 -5.966184 0.093317
H 0.612821 -5.592798 1.199989


