%chk=000255446.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000255446

0 1
O -0.760087 1.407632 -0.146888
O -1.895036 -0.522896 0.112357
O 2.127898 0.152774 0.201718
O 1.062775 -1.678387 -0.593112
C 0.152564 -0.386076 1.324389
C -1.086510 0.397382 0.823548
C -0.280391 -1.652391 2.058640
C 1.085883 -0.763114 0.186126
C 0.046305 2.517572 0.330490
C -2.987983 0.071783 -0.657516
C -0.176117 3.609278 -0.700154
C -3.770631 -1.135429 -1.136736
C 3.176790 0.019381 -0.805121
C 4.131931 -1.089354 -0.411774
H 0.716268 0.282874 2.028721
H -1.653560 0.860369 1.657419
H 0.578237 -2.222989 2.430099
H -0.929736 -1.423636 2.910401
H -0.849700 -2.313225 1.380533
H 1.097190 2.165258 0.355565
H -0.284106 2.814635 1.339278
H -3.570337 0.735909 0.000419
H -2.536457 0.650236 -1.483567
H 0.491611 4.460849 -0.534115
H 0.006019 3.225142 -1.714844
H -1.211086 3.972595 -0.685846
H -4.540558 -0.852230 -1.861443
H -3.098452 -1.861728 -1.620126
H -4.252866 -1.662775 -0.304858
H 3.636100 1.023205 -0.769669
H 2.699557 -0.160437 -1.785410
H 5.004351 -1.122080 -1.073915
H 4.492557 -0.965688 0.616609
H 3.637976 -2.071739 -0.467114


%chk=000255446-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000255446

0 1
O -0.634337 1.448854 -0.216677
O -1.806386 -0.570553 -0.075671
O 2.114268 0.085903 0.030926
O 1.110873 -1.992893 -0.315124
C 0.154126 -0.395108 1.331817
C -1.042644 0.365786 0.685824
C -0.350609 -1.562973 2.204057
C 1.133383 -0.888421 0.268128
C -0.085070 2.633442 0.466062
C -3.071771 -0.023560 -0.616150
C 0.004635 3.753915 -0.570135
C -3.804451 -1.182983 -1.287863
C 3.107962 -0.224634 -1.042099
C 4.282150 -1.032940 -0.481909
H 0.695950 0.343143 1.951284
H -1.660062 0.814673 1.509885
H 0.480853 -2.018737 2.769896
H -1.107053 -1.208195 2.928420
H -0.807821 -2.334424 1.565536
H 0.919039 2.395387 0.872095
H -0.751730 2.923170 1.310344
H -3.667065 0.405214 0.220999
H -2.837365 0.785839 -1.331780
H 0.436934 4.665021 -0.117170
H 0.646760 3.442596 -1.411947
H -0.994579 3.998858 -0.970084
H -4.759505 -0.833988 -1.721622
H -3.185068 -1.607298 -2.096312
H -4.018701 -1.985181 -0.560805
H 3.422329 0.768565 -1.401685
H 2.590564 -0.774535 -1.847655
H 5.043551 -1.182928 -1.270125
H 4.758988 -0.504262 0.361899
H 3.942250 -2.024050 -0.138254


