%chk=000231154.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000231154

0 1
O -1.301507 -1.711417 -0.629669
O -2.049690 2.238630 -0.526210
O -2.674841 -0.488798 0.721048
O -0.671217 2.504187 1.268772
C 0.687095 -0.011942 0.700773
C -0.552230 0.462509 -0.134548
C 1.847520 1.000426 0.595350
C 0.307733 -0.254868 2.160578
C -0.219293 0.562340 -1.626181
C 3.146595 0.405448 1.068540
C -1.670981 -0.570599 0.069495
C -1.052750 1.835258 0.348148
C 3.913608 -0.464661 0.214156
C 3.606881 0.701947 2.333305
C 5.131042 -1.008065 0.704332
C 3.502861 -0.804240 -1.114774
C 4.829621 0.156391 2.814850
C 5.575128 -0.680047 2.024613
C 5.902547 -1.878728 -0.131286
C 4.260088 -1.640020 -1.896895
C -2.067594 -2.888488 -0.647108
C -2.781322 3.428831 -0.380212
C 5.477332 -2.187491 -1.398216
C -3.424463 -2.961405 -0.331629
C -3.966298 3.415383 -1.133181
C -1.321350 -3.998165 -1.074624
C -2.372969 4.528295 0.374738
C -4.056117 -4.204204 -0.454833
C -4.759242 4.562201 -1.123289
C -1.979308 -5.222235 -1.190921
C -3.191965 5.663453 0.367488
C -3.342543 -5.327466 -0.882500
C -4.374841 5.684641 -0.376509
H 1.015003 -0.986041 0.248353
H 1.597353 1.909958 1.188688
H 1.957799 1.364857 -0.447634
H -0.449127 -1.038105 2.279101
H -0.077308 0.655378 2.643774
H 1.184332 -0.574554 2.741371
H 0.068258 -0.418197 -2.035056
H -1.084086 0.915806 -2.209361
H 0.606854 1.261548 -1.812420
H 3.040254 1.361577 2.990319
H 2.575038 -0.384717 -1.501701
H 5.156964 0.417113 3.820599
H 6.510718 -1.104933 2.383254
H 6.832159 -2.287972 0.261627
H 3.946343 -1.896666 -2.907107
H 6.057733 -2.848589 -2.039591
H -3.976439 -2.084260 0.011559
H -4.244669 2.528534 -1.697647
H -0.264219 -3.890730 -1.304808
H -1.454757 4.504369 0.963638
H -5.115714 -4.290755 -0.212786
H -5.685076 4.582823 -1.697945
H -1.427343 -6.101944 -1.521644
H -2.899018 6.536552 0.950881
H -3.845216 -6.288106 -0.974974
H -5.002568 6.573354 -0.374693


%chk=000231154-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000231154

0 1
O -1.340854 -1.707120 -0.627879
O -2.062133 2.325182 -0.580089
O -2.709501 -0.308698 0.675530
O -0.655626 2.515668 1.285771
C 0.725418 0.013373 0.619333
C -0.529046 0.514852 -0.210293
C 1.924847 1.019019 0.551523
C 0.380249 -0.346231 2.083898
C -0.198651 0.601692 -1.732626
C 3.237290 0.418415 1.037912
C -1.673735 -0.501764 0.009403
C -1.057477 1.881834 0.289983
C 4.010051 -0.488474 0.214064
C 3.715680 0.742138 2.315746
C 5.241363 -1.052043 0.738870
C 3.618433 -0.852877 -1.119696
C 4.929331 0.190737 2.830162
C 5.678234 -0.695983 2.057195
C 6.008209 -1.951679 -0.074305
C 4.387651 -1.728259 -1.890423
C -2.129952 -2.903495 -0.603632
C -2.853094 3.505610 -0.410216
C 5.592815 -2.289285 -1.363155
C -3.462818 -2.997214 -0.140078
C -3.818219 3.671661 -1.428714
C -1.449991 -4.022871 -1.133028
C -2.725716 4.438566 0.645403
C -4.108531 -4.253713 -0.218024
C -4.675092 4.790607 -1.395356
C -2.112515 -5.265642 -1.200448
C -3.596721 5.553256 0.660025
C -3.446436 -5.385890 -0.742863
C -4.567522 5.737794 -0.349195
H 1.034240 -0.919235 0.107066
H 1.672448 1.895590 1.171666
H 2.047282 1.383601 -0.485497
H -0.394806 -1.131682 2.141343
H 0.018090 0.537285 2.636100
H 1.279596 -0.732070 2.593299
H 0.238793 -0.352625 -2.068148
H -1.107196 0.800960 -2.321842
H 0.515471 1.418051 -1.933954
H 3.139586 1.437504 2.937617
H 2.706358 -0.426532 -1.548839
H 5.265117 0.470074 3.834805
H 6.609634 -1.127067 2.443343
H 6.935415 -2.369432 0.336531
H 4.071161 -1.985703 -2.907482
H 6.187362 -2.976177 -1.975455
H -3.973347 -2.127603 0.273728
H -3.886100 2.921999 -2.222665
H -0.418961 -3.903951 -1.479466
H -1.978768 4.299718 1.426636
H -5.140535 -4.339590 0.139337
H -5.425190 4.920149 -2.182847
H -1.587835 -6.136125 -1.608337
H -3.508193 6.280995 1.474183
H -3.961583 -6.350874 -0.794433
H -5.233180 6.606973 -0.322085


