%chk=000250513.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000250513

0 1
O 4.697128 -0.051737 0.986680
O 1.146292 -0.227723 1.478088
O -1.983372 -0.832496 -0.192603
O 0.335603 0.676090 -0.437025
O -3.561886 0.154733 -1.344029
O -2.964781 1.047024 0.706706
C 3.370632 -0.327090 0.481662
C 3.364952 0.051999 -1.006205
C 4.576898 0.978236 -1.197671
C 5.384162 0.875830 0.102799
C 2.401845 0.501409 1.343537
C 0.182714 -0.044975 0.514239
C -1.038907 -0.879317 0.922632
C -0.713433 -2.351379 1.054657
C -2.857893 0.236769 -0.183793
C -4.588179 1.195288 -1.544171
C -5.769310 0.950793 -0.634687
H 3.227020 -1.412712 0.666095
H 3.450808 -0.847865 -1.639762
H 2.417286 0.544669 -1.304489
H 4.255360 2.016958 -1.389654
H 5.175949 0.674528 -2.072936
H 5.455031 1.829532 0.648753
H 6.384547 0.432644 -0.026019
H 2.208945 1.510657 0.944961
H 2.747584 0.560267 2.393688
H -1.506995 -0.437922 1.837704
H -0.476951 -2.801446 0.077752
H -1.564946 -2.914182 1.461779
H 0.151151 -2.507096 1.718643
H -4.808705 1.022389 -2.615505
H -4.117699 2.182359 -1.389927
H -6.609993 1.610876 -0.882668
H -6.128722 -0.084911 -0.703357
H -5.509429 1.135101 0.420223


%chk=000250513-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000250513

0 1
O 4.634555 0.809559 1.240232
O 1.024133 -0.158204 1.373357
O -2.085611 -0.989052 -0.385162
O 0.256160 0.539666 -0.727056
O -3.727978 0.200653 -1.308039
O -2.679795 1.052569 0.618078
C 3.474142 -0.075910 0.939266
C 3.601862 -0.457541 -0.554669
C 4.354761 0.755081 -1.162561
C 5.336668 1.128106 -0.034613
C 2.216710 0.741312 1.291938
C 0.129818 -0.147423 0.305870
C -1.007584 -1.136573 0.617748
C -0.543965 -2.596087 0.533440
C -2.821059 0.186468 -0.275302
C -4.638375 1.391157 -1.340013
C -5.819144 1.205158 -0.385159
H 3.536741 -0.953713 1.608478
H 4.209494 -1.374991 -0.656523
H 2.623621 -0.627940 -1.032562
H 3.651366 1.582460 -1.364859
H 4.870587 0.504267 -2.104588
H 5.601092 2.198786 -0.005623
H 6.263620 0.522671 -0.088811
H 2.023190 1.536983 0.552025
H 2.320161 1.167726 2.301254
H -1.401058 -0.891744 1.620878
H -0.176682 -2.828693 -0.480375
H -1.388692 -3.266969 0.760663
H 0.263634 -2.773215 1.262638
H -4.957096 1.429592 -2.393236
H -4.048505 2.289362 -1.086257
H -6.524112 2.049525 -0.499558
H -6.362369 0.270719 -0.608086
H -5.477586 1.183536 0.663286


