%chk=000197685.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000197685

0 1
O 2.052160 1.804547 0.305864
O 0.003825 0.790166 0.144713
O 1.956318 -2.871300 -0.170687
O -6.175619 0.736949 0.054465
C 3.556849 -0.183180 0.141386
C 3.523716 1.398613 0.280863
C 2.081647 -0.507074 0.074079
C 4.197005 -0.789330 1.393400
C 4.279745 -0.670686 -1.112252
C 1.362649 0.646869 0.167411
C 4.118878 2.214798 -0.837137
C 1.419257 -1.786571 -0.067085
C -0.065831 -1.629292 -0.070721
C -0.698111 -0.447383 0.018221
C -2.131109 -0.147687 0.009789
C -3.008131 -0.954214 -0.737239
C -2.633814 0.947039 0.746383
C -4.376574 -0.689444 -0.746236
C -3.993073 1.228799 0.750792
C -4.850555 0.400719 0.001305
H 3.860798 1.737762 1.280547
H 3.687542 -0.479275 2.311720
H 4.121121 -1.888489 1.355178
H 5.256967 -0.537263 1.481444
H 5.346636 -0.434867 -1.098527
H 4.181209 -1.767014 -1.190878
H 3.843493 -0.257638 -2.027839
H 5.204959 2.070808 -0.905018
H 3.687489 1.953640 -1.814211
H 3.929652 3.287841 -0.688350
H -0.616967 -2.568154 -0.139174
H -2.616966 -1.792958 -1.318325
H -1.940440 1.575267 1.313893
H -5.054516 -1.313101 -1.320751
H -4.406482 2.065169 1.312333
H -6.743124 0.129634 -0.485358


%chk=000197685-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000197685

0 1
O 2.092375 1.825663 0.217758
O 0.004021 0.799440 0.101468
O 1.947766 -2.924090 -0.185468
O -6.351994 0.718709 -0.099758
C 3.569282 -0.185661 0.048168
C 3.537361 1.339055 0.475739
C 2.076744 -0.514265 0.077679
C 4.382836 -1.015999 1.070737
C 4.114895 -0.424943 -1.386150
C 1.366410 0.659505 0.135494
C 4.476736 2.318018 -0.211634
C 1.376354 -1.782263 -0.067660
C -0.097834 -1.622795 -0.082250
C -0.751435 -0.412305 -0.009183
C -2.199316 -0.142979 -0.031687
C -3.140820 -1.207631 -0.081538
C -2.692573 1.193769 -0.003430
C -4.523064 -0.951409 -0.105334
C -4.071358 1.459963 -0.027217
C -4.991066 0.386957 -0.078826
H 3.636455 1.400842 1.577096
H 3.991895 -0.883730 2.095974
H 4.310904 -2.087049 0.817235
H 5.448932 -0.719182 1.060010
H 5.189558 -0.174124 -1.454158
H 3.991867 -1.491459 -1.642265
H 3.566496 0.172621 -2.136486
H 5.524912 2.049329 0.013988
H 4.341755 2.309744 -1.305201
H 4.298472 3.342724 0.156612
H -0.679467 -2.543075 -0.176361
H -2.800491 -2.247581 -0.098494
H -1.981962 2.022944 0.036657
H -5.232647 -1.787829 -0.142522
H -4.452881 2.484580 -0.006771
H -6.918516 -0.091793 -0.138225


