%chk=000233005.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000233005

0 1
O 0.084223 2.370040 -0.450048
O -0.091737 -3.009491 1.854408
O -0.040998 -0.682337 -2.133296
N -0.056844 -1.550837 0.044548
C -0.007708 -0.286451 0.848102
C 1.270357 0.455914 0.547951
C -1.230590 0.547054 0.557463
C -0.138222 -3.883577 -0.443683
C -0.120260 -3.102547 -1.762351
C -0.094968 -2.839528 0.659833
C -0.068226 -1.624681 -1.389003
C 1.252491 1.699948 -0.098361
C -1.127058 1.786724 -0.089225
C 2.520321 -0.082613 0.893896
C -2.513827 0.100869 0.912877
C 2.424368 2.403999 -0.424141
C -2.246941 2.574460 -0.406129
C 3.696436 0.600076 0.586330
C -3.639375 0.867591 0.614188
C 3.646811 1.836720 -0.077268
C -3.504810 2.097628 -0.049892
H -0.014883 -0.598376 1.936452
H 0.721141 -4.575969 -0.350568
H -1.042042 -4.515115 -0.338769
H -1.013675 -3.303995 -2.384733
H 0.749654 -3.363266 -2.395877
H 2.564808 -1.044787 1.406479
H -2.624462 -0.855781 1.425727
H 2.355569 3.361306 -0.936333
H -2.112457 3.524397 -0.919011
H 4.659437 0.173917 0.859459
H -4.628774 0.512583 0.894607
H 4.573180 2.358047 -0.319996
H -4.392539 2.685176 -0.285637


%chk=000233005-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000233005

0 1
O 0.082287 2.319362 -0.573675
O -0.092010 -3.037132 1.869355
O -0.035942 -0.621571 -2.148505
N -0.057592 -1.568513 0.018713
C -0.006959 -0.297231 0.816807
C 1.283480 0.461230 0.542208
C -1.241021 0.553640 0.553308
C -0.142013 -3.898018 -0.482370
C -0.122457 -3.099885 -1.808425
C -0.098919 -2.843451 0.628271
C -0.070509 -1.622407 -1.397961
C 1.272006 1.690860 -0.156883
C -1.146677 1.778641 -0.147533
C 2.532460 -0.059729 0.957761
C -2.521018 0.124063 0.978755
C 2.466602 2.376687 -0.464600
C -2.291140 2.547953 -0.448213
C 3.736182 0.612718 0.665815
C -3.675540 0.880597 0.693926
C 3.699102 1.832692 -0.055398
C -3.556522 2.093816 -0.029817
H -0.016091 -0.665238 1.861853
H 0.722172 -4.574451 -0.367097
H -1.049882 -4.512447 -0.355963
H -1.019243 -3.266317 -2.429120
H 0.754281 -3.326063 -2.438842
H 2.551983 -1.005482 1.513377
H -2.604233 -0.817301 1.535932
H 2.406894 3.319744 -1.015477
H -2.167866 3.483569 -1.001207
H 4.693199 0.195550 0.995172
H -4.657627 0.533412 1.030623
H 4.628910 2.361008 -0.291864
H -4.447897 2.686791 -0.260928


