%chk=000182191.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000182191

0 1
O -2.559087 1.988410 -0.169878
O -2.955914 -0.256024 -0.650210
O -6.563887 2.194036 -1.051322
O -5.691251 2.718833 1.643603
O -4.503444 2.206255 -2.599712
O 1.811323 -0.204938 -0.158553
O -3.141855 -2.668908 0.332022
O -0.809898 -4.153462 0.844655
O 1.784973 -4.123965 1.063672
O 7.405740 2.524967 -0.578814
C -5.428079 1.608442 -0.396593
C -4.773818 2.643697 0.541885
C -4.503148 1.216386 -1.568473
C -3.397536 2.126543 1.018609
C -3.011653 1.112889 -1.164438
C -2.633523 3.115591 1.876285
C -1.763260 -0.821500 -0.316339
C -1.872342 -2.161663 0.131517
C -0.522813 -0.162539 -0.389045
C 0.609204 -0.896528 -0.050920
C 0.573499 -2.236876 0.367190
C -0.696156 -2.874378 0.466406
C 1.806918 -2.945230 0.702258
C 3.001294 -0.868457 0.162426
C 3.025118 -2.154015 0.576322
C 4.122419 0.052709 -0.028065
C -3.447206 -3.830519 -0.490790
C 5.409149 -0.456220 -0.317504
C 3.929747 1.442260 0.070226
C 6.480748 0.403266 -0.494601
C 4.994521 2.325108 -0.102856
C 6.263726 1.796784 -0.383741
C 7.319968 3.970967 -0.500393
H -5.768176 0.714894 0.179344
H -4.695371 3.639634 0.052887
H -4.845941 0.254295 -2.026598
H -3.481980 1.124881 1.498955
H -2.305895 1.266259 -2.009255
H -2.573380 4.108750 1.412846
H -3.076437 3.215389 2.873243
H -1.593221 2.777096 2.011337
H -7.174438 2.572642 -0.373795
H -5.411690 3.413902 2.274849
H -5.393696 2.653573 -2.635593
H -0.445813 0.885003 -0.670957
H 3.953345 -2.657435 0.849209
H 0.135099 -4.578687 1.069050
H -3.380270 -3.573043 -1.549050
H -4.478339 -4.047805 -0.192871
H -2.775560 -4.656062 -0.229346
H 5.558168 -1.535261 -0.407835
H 2.929880 1.831914 0.285183
H 7.480974 0.035063 -0.718022
H 4.830264 3.394751 -0.020920
H 7.008485 4.278843 0.501761
H 6.651324 4.354252 -1.276479
H 8.360296 4.264935 -0.696972


%chk=000182191-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000182191

0 1
O -2.608350 2.125365 -0.040553
O -3.035229 -0.202553 -0.551589
O -6.711971 2.064704 -0.983772
O -5.934065 2.788705 1.640480
O -4.457017 2.579157 -2.419766
O 1.823588 -0.180756 -0.159644
O -3.177383 -2.756713 0.142180
O -0.731734 -4.257692 0.657513
O 1.799851 -4.241130 0.809630
O 7.620820 2.512230 -0.364720
C -5.449345 1.618050 -0.379251
C -4.907325 2.678162 0.587313
C -4.477868 1.400837 -1.554713
C -3.531959 2.229591 1.130722
C -3.037462 1.187910 -1.052756
C -2.881089 3.222151 2.090238
C -1.806222 -0.821020 -0.290146
C -1.895785 -2.213879 0.033948
C -0.566202 -0.137629 -0.342859
C 0.597584 -0.875935 -0.096870
C 0.570276 -2.256532 0.218679
C -0.696946 -2.925274 0.303459
C 1.812800 -2.972445 0.496218
C 3.028872 -0.852567 0.088237
C 3.034516 -2.201489 0.406069
C 4.196869 0.034717 -0.033387
C -3.421141 -4.079490 -0.479467
C 5.522085 -0.459607 0.154660
C 4.032841 1.411649 -0.343624
C 6.631215 0.386473 0.038071
C 5.139924 2.273413 -0.463532
C 6.448424 1.760782 -0.272138
C 7.498708 3.938811 -0.689188
H -5.591133 0.668100 0.173677
H -4.779856 3.641816 0.051047
H -4.788254 0.502439 -2.123247
H -3.626762 1.230024 1.601433
H -2.317586 1.309916 -1.881103
H -2.807759 4.224373 1.630604
H -3.457945 3.292452 3.030224
H -1.862541 2.885290 2.346111
H -7.295974 2.372493 -0.243461
H -5.772305 3.602135 2.179471
H -5.408650 2.851245 -2.524614
H -0.507266 0.935483 -0.526502
H 3.972914 -2.721227 0.603680
H 0.268784 -4.550563 0.798640
H -3.232426 -4.028328 -1.568895
H -4.486629 -4.279819 -0.291664
H -2.783885 -4.851377 -0.020931
H 5.692319 -1.514255 0.391406
H 3.023869 1.805165 -0.491937
H 7.649352 0.012984 0.180127
H 4.974441 3.327546 -0.703495
H 6.919701 4.476593 0.085616
H 7.026092 4.084019 -1.679264
H 8.531323 4.315205 -0.710565


