%chk=000298228.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000298228

0 1
O 1.245315 -0.709290 -0.547059
O -1.230174 0.665451 -1.796995
O -1.620763 -0.848950 -0.041574
O 1.766464 1.135859 -1.881169
O 0.638567 -3.706801 0.197156
O -1.400485 -3.249139 1.195599
C 0.308689 -1.272510 -1.485987
C -0.263355 -0.193104 -2.433155
C -0.818297 -1.890321 -0.630065
C 0.826105 0.784222 -2.907205
C -2.241775 0.006243 -1.013492
C -0.254160 -2.663735 0.586452
C 2.320476 0.024115 -1.162094
C -2.925258 1.092596 -0.223085
C 3.107165 0.622658 -0.024728
C -2.180701 2.174678 0.265295
C -4.302346 1.007945 0.024997
C 4.506784 0.546913 -0.028008
C 2.432345 1.253758 1.028995
C 0.067062 -4.813884 -0.527275
C -1.202786 -3.663216 2.565503
C -2.819764 3.181341 0.994875
C -4.933291 2.016088 0.758491
C 5.229087 1.105253 1.029833
C 3.161753 1.807900 2.085009
C -4.193887 3.102104 1.241264
C 4.558048 1.734358 2.084972
H 0.843497 -2.063858 -2.061027
H -0.773816 -0.671753 -3.300777
H -1.474494 -2.541542 -1.249872
H 1.377712 0.382638 -3.774318
H 0.381188 1.774637 -3.148821
H -2.892613 -0.588383 -1.684392
H 0.365385 -2.038489 1.263170
H 2.881680 -0.635836 -1.851247
H -1.106542 2.217560 0.061201
H -4.878296 0.160448 -0.342006
H 5.032126 0.059948 -0.847230
H 1.339905 1.298569 1.009933
H -0.902510 -5.098308 -0.102052
H 0.806843 -5.609374 -0.380686
H -0.020876 -4.549551 -1.583092
H -0.358162 -4.355370 2.634837
H -1.055687 -2.783427 3.199503
H -2.148980 -4.161929 2.804414
H -2.244893 4.025108 1.372111
H -6.001607 1.954923 0.956211
H 6.315942 1.050802 1.032572
H 2.640504 2.297442 2.905590
H -4.690216 3.885626 1.811309
H 5.125490 2.167587 2.906918


%chk=000298228-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000298228

0 1
O 1.279476 -0.588723 -0.296635
O -1.037363 0.938204 -1.542937
O -1.637378 -0.714253 0.127875
O 1.965329 1.205642 -1.762375
O 0.543865 -3.759537 0.019975
O -1.560648 -3.337291 1.128497
C 0.340600 -1.133693 -1.288742
C -0.160221 -0.015887 -2.241896
C -0.840464 -1.764284 -0.527333
C 1.029686 0.769465 -2.810467
C -2.132565 0.234690 -0.868907
C -0.373724 -2.744218 0.561548
C 2.419654 0.069172 -0.951427
C -3.030047 1.241805 -0.182818
C 3.336517 0.591492 0.122203
C -3.103427 2.575242 -0.650874
C -3.837797 0.830125 0.904861
C 4.675830 0.150231 0.207987
C 2.839621 1.532634 1.057146
C -0.065289 -4.696852 -0.940217
C -1.321653 -3.963558 2.438618
C -3.983661 3.492257 -0.034243
C -4.716417 1.750180 1.518398
C 5.523307 0.646738 1.224775
C 3.685921 2.027838 2.071358
C -4.794578 3.082347 1.049334
C 5.028661 1.586437 2.157762
H 0.856246 -1.915721 -1.891750
H -0.727024 -0.489850 -3.079145
H -1.483302 -2.302047 -1.262280
H 1.559957 0.129587 -3.551117
H 0.683202 1.692727 -3.300180
H -2.682484 -0.356025 -1.648226
H 0.241487 -2.220489 1.314931
H 2.916810 -0.674925 -1.621447
H -2.460424 2.886754 -1.478955
H -3.756254 -0.197930 1.271192
H 5.057864 -0.581259 -0.514907
H 1.799055 1.862278 0.978022
H -1.053992 -5.041451 -0.585706
H 0.631749 -5.547052 -1.001700
H -0.172859 -4.245021 -1.948185
H -0.552761 -4.756202 2.369016
H -1.002430 -3.203485 3.178441
H -2.285763 -4.397688 2.744614
H -4.033591 4.525331 -0.396410
H -5.336260 1.429230 2.363212
H 6.561340 0.302207 1.289262
H 3.302347 2.755609 2.795128
H -5.477412 3.794774 1.526262
H 5.683661 1.972446 2.947261


