%chk=000115072.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000115072

0 1
O -0.051404 3.146518 -0.248507
O 3.408018 -0.582626 1.394010
O 1.986518 -2.958969 -0.219390
C 1.513195 1.396924 -0.033949
C 1.748879 -0.115262 -0.267332
C 1.845519 0.875729 -1.423149
C 0.085782 1.825828 0.313443
C -0.993311 0.913519 -0.303201
C 0.587081 -1.041628 -0.192654
C -0.671571 -0.556319 -0.161899
C -2.392345 1.078635 0.315474
C 2.542818 2.204053 0.713751
C -3.102693 -0.295775 0.127177
C -1.938535 -1.334441 0.028890
C 3.045491 -0.723628 0.249333
C 0.863189 -2.499061 -0.156334
C -4.012815 -0.606630 1.319732
C -3.925421 -0.298486 -1.168585
H 2.816422 1.101799 -1.859110
H 1.085589 0.869721 -2.200789
H -0.030939 1.896865 1.419218
H -1.046162 1.152184 -1.400460
H -2.323225 1.333797 1.387629
H -2.956346 1.896166 -0.158620
H 2.641312 1.854493 1.753126
H 3.541474 2.135084 0.266417
H 2.268697 3.269404 0.725670
H -2.109455 -2.049960 -0.796117
H -1.884519 -1.948003 0.949390
H 3.623147 -1.285602 -0.499764
H -0.897892 3.545532 0.029233
H -0.012923 -3.163252 -0.081348
H -4.805690 0.143053 1.423862
H -4.504711 -1.579598 1.208434
H -3.459753 -0.627111 2.265491
H -3.305335 -0.070606 -2.042529
H -4.399097 -1.270308 -1.345468
H -4.728690 0.446162 -1.136574


%chk=000115072-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000115072

0 1
O -0.102865 3.198467 -0.088224
O 3.344804 -0.815912 1.400330
O 2.032015 -2.967553 -0.396897
C 1.515379 1.402090 -0.107398
C 1.759898 -0.125659 -0.322576
C 1.749589 0.847048 -1.520138
C 0.115504 1.804352 0.357563
C -1.010658 0.893161 -0.172647
C 0.589921 -1.057871 -0.130000
C -0.698323 -0.588820 -0.038635
C -2.403596 1.035987 0.493482
C 2.618715 2.239102 0.536153
C -3.139122 -0.304526 0.163006
C -1.981760 -1.359631 0.250198
C 3.095067 -0.659939 0.179508
C 0.880947 -2.498801 -0.147847
C -4.272366 -0.604479 1.168655
C -3.717531 -0.265926 -1.277142
H 2.712650 1.086105 -1.986058
H 0.918977 0.781302 -2.228887
H 0.108805 1.765655 1.471319
H -1.110995 1.131711 -1.253215
H -2.283198 1.134360 1.592589
H -2.970280 1.912557 0.130560
H 2.688594 2.037238 1.621270
H 3.608405 2.021280 0.097916
H 2.397391 3.309262 0.384380
H -2.149159 -2.211728 -0.434435
H -1.935961 -1.779911 1.275902
H 3.874131 -0.833263 -0.601368
H -0.897342 3.559685 0.380729
H 0.026333 -3.186183 0.050597
H -5.062706 0.167716 1.116110
H -4.746016 -1.581819 0.957789
H -3.890889 -0.629176 2.207008
H -2.932069 -0.090488 -2.035180
H -4.210981 -1.224718 -1.523248
H -4.471006 0.537530 -1.376668


