%chk=000226172.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000226172

0 1
O 2.478958 -1.445418 -1.531356
O 2.555238 -3.274703 0.141738
O 2.552032 -2.016919 1.993550
C 2.095689 -0.969833 -0.237987
C 0.603026 -0.676393 -0.195102
C 2.919033 0.285462 -0.001329
C -0.069077 -0.418334 -1.397620
C -0.093572 -0.621934 1.019650
C -2.136520 -0.080750 -0.174803
C 2.433978 -2.073581 0.795611
C -1.433050 -0.123956 -1.389036
C -1.458184 -0.329907 1.029287
C 3.049595 0.818683 1.288706
C 3.524332 0.926130 -1.091269
C -3.583556 0.229222 -0.163243
C 3.783516 1.991256 1.483301
C 4.258122 2.098281 -0.889145
C 4.386995 2.632854 0.396401
C -4.050756 1.429543 -0.721604
C -4.493164 -0.675815 0.406205
C -5.417336 1.720048 -0.707407
C -5.858861 -0.380790 0.413221
C -6.322748 0.816285 -0.141882
H 0.483686 -0.441825 -2.340071
H 0.424883 -0.803525 1.964523
H -1.954334 0.070716 -2.325907
H -1.997926 -0.285909 1.975149
H 2.591871 0.315269 2.143740
H 3.424904 0.501057 -2.093261
H 2.096988 -2.343291 -1.705334
H 3.885943 2.404232 2.485656
H 4.729594 2.593978 -1.736056
H 4.957700 3.546846 0.552076
H -3.346167 2.135901 -1.158330
H -4.133671 -1.609484 0.836010
H -5.777374 2.653311 -1.137760
H -6.563212 -1.085553 0.852478
H 2.781199 -4.028552 0.751424
H -7.386874 1.044400 -0.133524


%chk=000226172-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000226172

0 1
O 2.472144 -1.355930 -1.750524
O 2.656805 -3.304951 -0.067364
O 2.668753 -1.986612 1.842238
C 2.135020 -0.953165 -0.383752
C 0.606515 -0.699166 -0.264670
C 2.954529 0.319648 -0.072677
C -0.072892 -0.215102 -1.410278
C -0.125718 -0.882342 0.933795
C -2.196377 -0.101060 -0.160131
C 2.526063 -2.080502 0.608733
C -1.448279 0.078232 -1.356818
C -1.504814 -0.589456 0.980299
C 2.668555 1.098329 1.074635
C 4.012587 0.703359 -0.930784
C -3.652895 0.214992 -0.105688
C 3.435628 2.247907 1.361649
C 4.774205 1.859008 -0.644048
C 4.490940 2.633966 0.503095
C -4.198260 1.279067 -0.876677
C -4.535867 -0.536194 0.718798
C -5.575586 1.581343 -0.825483
C -5.913277 -0.234374 0.772168
C -6.441180 0.826341 -0.000247
H 0.489088 -0.086320 -2.340050
H 0.373193 -1.244696 1.839208
H -1.955903 0.424649 -2.264100
H -2.042606 -0.711635 1.927121
H 1.850466 0.815730 1.743759
H 4.217265 0.099244 -1.817849
H 2.262655 -2.320894 -1.848910
H 3.207227 2.842832 2.252930
H 5.587887 2.151746 -1.317325
H 5.083090 3.529009 0.725095
H -3.533970 1.893272 -1.495033
H -4.146083 -1.380510 1.298714
H -5.971980 2.411258 -1.421233
H -6.576062 -0.831673 1.408421
H 2.870613 -4.029417 0.579288
H -7.510579 1.061067 0.040395


