%chk=000245259.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000245259

0 1
O -2.864395 -0.051682 1.852871
O 0.716966 2.433338 -1.042476
O -4.062542 1.751923 0.330377
O 4.906439 0.206890 2.735420
O -6.535178 0.891129 0.588676
C -0.749084 -1.149417 0.123692
C -1.667297 0.041257 -0.297069
C 0.596233 -1.094183 -0.612083
C 1.312820 0.231899 -0.219115
C 2.699721 0.353575 -0.918671
C -2.991978 -0.345414 0.451654
C 3.572324 -0.899189 -0.578462
C -1.650700 -2.383425 -0.052008
C 1.471218 -2.309176 -0.264055
C -0.998470 1.337555 0.169862
C -3.053999 -1.892606 0.375674
C 2.844440 -2.209267 -0.935116
C 0.391162 1.432015 -0.442485
C 3.452795 1.627979 -0.448764
C -1.914268 0.109507 -1.810218
C 4.008170 -0.931755 0.897357
C 2.522463 0.460045 -2.445345
C -4.272399 0.376242 -0.039903
C 3.857214 1.599754 1.024529
C 4.716447 0.361212 1.309149
C -5.541741 -0.140596 0.665280
H -0.547411 -1.049236 1.224525
H 0.423186 -1.090476 -1.716850
H 1.512628 0.199717 0.886388
H 4.496282 -0.837787 -1.205907
H -1.312388 -3.226115 0.571774
H -1.651489 -2.742574 -1.094022
H 0.964897 -3.239511 -0.582891
H 1.592385 -2.393038 0.833803
H -0.930238 1.374515 1.274940
H -1.611653 2.220172 -0.114748
H -3.826639 -2.240656 -0.324061
H -3.316945 -2.288624 1.376229
H 3.467156 -3.076064 -0.642399
H 2.732932 -2.280261 -2.034467
H 2.823560 2.522888 -0.648359
H 4.353820 1.766180 -1.076981
H -2.506206 0.995031 -2.075423
H -0.971072 0.191438 -2.367303
H -2.430110 -0.777992 -2.187747
H 3.137428 -1.094937 1.564826
H 4.676275 -1.794020 1.084419
H 1.969764 1.375225 -2.705884
H 3.483066 0.502647 -2.966173
H 1.963206 -0.387225 -2.853328
H -4.378955 0.354841 -1.144792
H 4.403694 2.524386 1.284572
H 2.962061 1.590015 1.676809
H 5.722751 0.448710 0.845334
H -2.982190 0.924123 1.995056
H -5.920211 -1.082913 0.243341
H -5.381268 -0.256481 1.759098
H -4.928734 2.159066 0.611710
H 5.291697 1.010448 3.123464
H -6.921440 0.931700 -0.312221


%chk=000245259-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000245259

0 1
O -2.782544 -0.142739 1.921237
O 0.661638 2.424028 -1.289036
O -4.084022 1.805515 0.562705
O 4.980014 0.295653 2.846004
O -6.636377 0.884395 0.705466
C -0.784242 -1.162036 0.021822
C -1.709148 0.044420 -0.337028
C 0.587327 -1.119308 -0.680659
C 1.316179 0.235344 -0.318404
C 2.751933 0.349187 -0.943413
C -3.005542 -0.356071 0.473989
C 3.595935 -0.908055 -0.505795
C -1.692291 -2.397964 -0.183878
C 1.467592 -2.329053 -0.282360
C -0.998934 1.347996 0.117885
C -3.109405 -1.898327 0.254426
C 2.891244 -2.238931 -0.873932
C 0.368746 1.430905 -0.566209
C 3.505211 1.631804 -0.457142
C -2.021042 0.137917 -1.854682
C 3.985468 -0.890280 0.998966
C 2.688304 0.421018 -2.495619
C -4.293806 0.415112 0.107420
C 3.860491 1.634578 1.047174
C 4.710554 0.399815 1.396407
C -5.555867 -0.127187 0.813033
H -0.599596 -1.081325 1.115494
H 0.434658 -1.157980 -1.779084
H 1.423601 0.200476 0.789803
H 4.544073 -0.855205 -1.085893
H -1.361832 -3.264364 0.413917
H -1.692345 -2.713057 -1.245173
H 0.980304 -3.262258 -0.626050
H 1.516881 -2.390568 0.823934
H -0.850695 1.305317 1.215565
H -1.583426 2.248561 -0.130304
H -3.868538 -2.141069 -0.512701
H -3.432813 -2.359716 1.203080
H 3.501559 -3.090619 -0.512831
H 2.834084 -2.338886 -1.975444
H 2.915193 2.526021 -0.718462
H 4.450154 1.693680 -1.038344
H -2.623217 1.038835 -2.069361
H -1.095777 0.229686 -2.449636
H -2.569969 -0.745933 -2.227378
H 3.099925 -0.991727 1.654531
H 4.639140 -1.756149 1.218176
H 2.206205 1.360142 -2.814309
H 3.712788 0.395675 -2.914778
H 2.129297 -0.419996 -2.941847
H -4.454506 0.404038 -0.990498
H 4.414543 2.564450 1.292436
H 2.950314 1.630393 1.678662
H 5.675627 0.466591 0.841785
H -2.961078 0.828649 2.066416
H -5.877697 -1.099517 0.395360
H -5.373316 -0.231167 1.893859
H -4.995451 2.183855 0.713164
H 5.392147 1.143852 3.151787
H -7.051452 0.832383 -0.192752


