%chk=000235942.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000235942

0 1
O -5.780692 -0.968848 -0.055899
O 4.099670 0.015268 -1.623317
C -0.340500 -0.436930 -0.306593
C -1.133127 0.785115 0.248002
C 1.103490 -0.478515 0.295325
C -2.527798 0.759917 -0.392007
C -3.305377 -0.532092 0.013967
C 1.804697 0.867051 -0.070992
C -1.104304 -1.761333 -0.083124
C -0.398301 2.100215 -0.066272
C -2.557693 -1.731280 -0.589545
C 1.034346 2.079283 0.478327
C -3.520324 1.898876 -0.096005
C -4.701532 -0.228787 -0.621384
C 1.911788 -1.614363 -0.389525
C 3.271948 0.898011 0.390982
C -4.900785 1.300671 -0.447997
C 4.072963 -0.270258 -0.205256
C 1.056300 -0.709577 1.814328
C 3.384364 -1.632558 0.031687
C -3.455845 -0.709526 1.531609
C 5.529511 -0.325922 0.320159
C 6.329084 0.923877 -0.031257
H -0.236008 -0.294403 -1.411051
H -1.223122 0.687477 1.355929
H -2.379961 0.739331 -1.503737
H 1.818545 0.940686 -1.191420
H -1.101110 -2.015197 0.995426
H -0.565681 -2.585398 -0.588675
H -0.952534 2.952047 0.369257
H -0.381923 2.277311 -1.158692
H -2.573700 -1.680318 -1.693820
H -3.069257 -2.675717 -0.326650
H 1.553856 3.014402 0.196512
H 1.023217 2.060797 1.583853
H -3.301269 2.796804 -0.693776
H -3.475829 2.208975 0.960642
H -4.753345 -0.541008 -1.685915
H 1.854661 -1.488362 -1.489578
H 1.454500 -2.595199 -0.164800
H 3.734719 1.851377 0.065749
H 3.339619 0.874031 1.492940
H -5.644225 1.508090 0.338054
H -5.306979 1.745106 -1.370244
H 0.649274 -1.696534 2.055985
H 2.053602 -0.645657 2.260904
H 0.426926 0.037991 2.310729
H 3.463999 -1.903368 1.101931
H 3.914252 -2.428831 -0.521918
H -4.053333 -1.598957 1.762360
H -2.479515 -0.841794 2.014834
H -3.929187 0.158999 1.999727
H 6.038032 -1.215717 -0.098109
H 5.522594 -0.474918 1.416299
H -5.860392 -0.811346 0.904859
H 4.571785 -0.679152 -2.112088
H 6.165775 1.209956 -1.080996
H 6.035511 1.781489 0.584260
H 7.402820 0.765614 0.111705


%chk=000235942-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000235942

0 1
O -5.842074 -1.049376 -0.412151
O 4.086896 -0.027668 -1.747844
C -0.342922 -0.463857 -0.189476
C -1.144938 0.786574 0.312575
C 1.130875 -0.499744 0.373791
C -2.549612 0.761997 -0.325332
C -3.360627 -0.527715 0.001974
C 1.822233 0.850947 -0.035655
C -1.136863 -1.786311 0.026414
C -0.393990 2.099557 -0.016232
C -2.578605 -1.739811 -0.550655
C 1.061713 2.084141 0.498332
C -3.543519 1.920017 -0.037873
C -4.694538 -0.192276 -0.737679
C 1.935645 -1.643586 -0.318516
C 3.323649 0.897828 0.330947
C -4.936101 1.327707 -0.441548
C 4.126548 -0.273011 -0.273994
C 1.135069 -0.719105 1.912843
C 3.440058 -1.628750 0.034568
C -3.652467 -0.710077 1.515030
C 5.604700 -0.301431 0.201436
C 6.409037 0.979485 -0.102297
H -0.240097 -0.331984 -1.293367
H -1.257641 0.728205 1.416325
H -2.389626 0.746787 -1.429759
H 1.777449 0.891107 -1.145764
H -1.185894 -2.026585 1.106280
H -0.595003 -2.624284 -0.451475
H -0.942907 2.961657 0.410988
H -0.385601 2.240619 -1.118593
H -2.524525 -1.658273 -1.657102
H -3.108506 -2.686153 -0.325254
H 1.585119 3.006838 0.175651
H 1.071332 2.091065 1.608018
H -3.298586 2.831479 -0.610654
H -3.521685 2.195551 1.034212
H -4.559191 -0.362991 -1.821628
H 1.825824 -1.536294 -1.416756
H 1.517224 -2.630145 -0.041284
H 3.751049 1.846148 -0.044949
H 3.461550 0.895337 1.430644
H -5.673593 1.436057 0.378117
H -5.367819 1.835349 -1.321322
H 0.789054 -1.738523 2.164515
H 2.146364 -0.604664 2.341079
H 0.478818 -0.004383 2.439097
H 3.579308 -1.862568 1.108623
H 3.963233 -2.433582 -0.524555
H -4.230975 -1.639172 1.675815
H -2.727540 -0.795276 2.108619
H -4.230056 0.134455 1.936256
H 6.102287 -1.170058 -0.282463
H 5.623642 -0.506776 1.290977
H -6.128806 -0.849278 0.515096
H 4.555021 -0.779523 -2.194675
H 6.315688 1.251067 -1.168841
H 6.052881 1.836494 0.496842
H 7.480240 0.833662 0.128329


