%chk=000228257.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000228257

0 1
O -0.523173 0.071997 -2.438313
O -0.655526 -0.081134 1.744071
O 2.761030 -0.118926 1.819436
C -0.278801 0.017016 -1.007863
C 0.471616 -1.279660 -0.723542
C 0.498745 1.273168 -0.630005
C -1.655558 0.008366 -0.371013
C 1.564531 -1.313252 0.155201
C 1.591356 1.219179 0.248116
C 2.036079 -0.075447 0.843954
C 0.047698 -2.458425 -1.350671
C 0.100488 2.503371 -1.168931
C -1.830774 -0.041695 1.035047
C 2.222335 -2.526365 0.408720
C 2.274417 2.396282 0.589366
C -2.801210 0.050388 -1.171467
C 0.712827 -3.661994 -1.103292
C 0.790678 3.671267 -0.834483
C 1.800398 -3.697715 -0.223236
C 1.877896 3.619446 0.045185
C -3.106314 -0.049183 1.615815
C -4.080373 0.043404 -0.603875
C -4.227867 -0.006195 0.783687
C -0.709968 -0.131740 3.190778
H -0.806106 -2.424073 -2.030816
H -0.753171 2.536993 -1.849298
H 0.328427 0.080770 -2.924798
H 3.062545 -2.539691 1.108305
H 3.114136 2.340576 1.287449
H -2.688301 0.089360 -2.260597
H 0.380124 -4.576054 -1.594664
H 0.477827 4.625673 -1.257431
H 2.314130 -4.637580 -0.027877
H 2.411173 4.531399 0.308603
H -3.231962 -0.087639 2.692406
H -4.956284 0.076686 -1.246607
H -5.224288 -0.011623 1.225975
H -1.209055 -1.046808 3.519811
H -1.190293 0.767767 3.584280
H 0.361765 -0.151808 3.443774


%chk=000228257-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000228257

0 1
O -0.438445 0.075096 -2.505263
O -0.683426 -0.076941 1.744898
O 3.350685 -0.106934 1.339327
C -0.236827 0.018588 -1.025383
C 0.499467 -1.288109 -0.695148
C 0.527640 1.281352 -0.601305
C -1.662510 0.011957 -0.434698
C 1.699667 -1.319111 0.063016
C 1.728173 1.231045 0.155384
C 2.327213 -0.067953 0.581705
C -0.048418 -2.503407 -1.171684
C 0.006920 2.539814 -0.987671
C -1.855176 -0.038053 0.977396
C 2.334996 -2.560464 0.332655
C 2.390952 2.435215 0.513245
C -2.799963 0.053301 -1.267691
C 0.587923 -3.732436 -0.904041
C 0.670414 3.731799 -0.632713
C 1.786524 -3.763016 -0.146145
C 1.869473 3.681140 0.123407
C -3.157100 -0.046174 1.529578
C -4.106698 0.045639 -0.724389
C -4.281421 -0.004227 0.673911
C -0.805488 -0.134269 3.203028
H -0.974936 -2.472322 -1.753454
H -0.919778 2.572005 -1.569093
H 0.459238 0.079725 -2.926199
H 3.256969 -2.543656 0.922864
H 3.312119 2.355076 1.099471
H -2.643992 0.091354 -2.348588
H 0.154038 -4.665140 -1.281664
H 0.257301 4.698694 -0.941358
H 2.280919 -4.717675 0.063720
H 2.384928 4.606982 0.400784
H -3.303185 -0.084123 2.613083
H -4.974974 0.078252 -1.390712
H -5.288062 -0.010633 1.106782
H -1.340160 -1.048958 3.523974
H -1.323556 0.761250 3.596976
H 0.229752 -0.158582 3.573194


