%chk=000248974.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000248974

0 1
O -2.981107 -0.555163 -0.854423
O 0.508334 2.336493 0.774803
O -3.677964 -1.865735 0.905078
O 0.137069 4.209051 -0.533001
O 0.559752 -0.912027 -0.384795
O -0.915665 0.875636 -2.188179
O 0.603077 -2.020540 1.582666
C -0.716685 -0.301265 -0.017770
C -0.789088 1.045134 -0.771536
C -1.811331 -1.297186 -0.455498
C 0.502484 1.873658 -0.591202
C -2.298296 -2.225880 0.670881
C -4.035135 -0.692856 0.145176
C 0.516724 3.153445 -1.442715
C 0.321847 3.780568 0.834426
C -4.041813 0.526208 1.049708
C -5.327168 -0.974784 -0.591759
C -0.955849 4.080393 1.594645
C 1.587534 4.388008 1.409627
C 1.157366 -1.750462 0.540023
C 2.467458 -2.217176 0.036682
C 3.265974 -2.995995 0.890929
C 2.911044 -1.898917 -1.256234
C 4.508083 -3.453524 0.447229
C 4.154479 -2.361793 -1.692281
C 4.951204 -3.136916 -0.842175
H -0.713401 -0.114784 1.084140
H -1.680566 1.606400 -0.396924
H -1.492765 -1.839115 -1.374443
H 1.410418 1.243405 -0.700896
H -2.320162 -3.291351 0.388091
H -1.759434 -2.102018 1.629768
H 1.512153 3.397653 -1.844818
H -0.242219 3.172165 -2.245970
H -3.110900 0.604167 1.625302
H -4.859938 0.467835 1.779573
H -4.163421 1.451657 0.475852
H -5.170226 -1.725422 -1.379967
H -5.733413 -0.075496 -1.067402
H -6.084640 -1.379762 0.093009
H -1.838573 3.832778 0.990676
H -1.030324 5.142892 1.854865
H -1.005754 3.493755 2.520403
H 2.476564 4.017880 0.882803
H 1.709245 4.133849 2.469006
H 1.578799 5.480388 1.311771
H -1.798496 0.475278 -2.392803
H 2.907689 -3.236920 1.895610
H 2.279141 -1.292207 -1.911998
H 5.131592 -4.057127 1.105758
H 4.503081 -2.118477 -2.695283
H 5.921821 -3.496199 -1.185730


%chk=000248974-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000248974

0 1
O -3.123756 -0.277215 -0.638568
O 0.922156 2.275605 0.521787
O -3.770747 -2.205136 0.564632
O -0.083696 4.264280 -0.271923
O 0.530828 -0.739945 -0.382539
O -1.252930 0.996969 -2.213404
O 0.646631 -1.706305 1.738400
C -0.741792 -0.061029 0.002609
C -0.862427 1.240351 -0.820264
C -1.894524 -1.050571 -0.289048
C 0.454949 2.034346 -0.867877
C -2.358302 -1.924374 0.895433
C -4.316467 -0.967241 -0.020694
C 0.269428 3.448548 -1.454220
C 0.723403 3.729557 0.844141
C -4.892990 -0.037265 1.054792
C -5.304162 -1.358215 -1.116718
C -0.098788 3.856889 2.124880
C 2.102527 4.401455 0.914824
C 1.152289 -1.515871 0.602660
C 2.446540 -2.084200 0.130819
C 3.197779 -2.874939 1.039117
C 2.932185 -1.859224 -1.183993
C 4.426992 -3.434783 0.636104
C 4.161900 -2.423853 -1.582706
C 4.911066 -3.210551 -0.675289
H -0.681678 0.187325 1.077487
H -1.633202 1.857246 -0.312397
H -1.614980 -1.669747 -1.162164
H 1.225210 1.448502 -1.394627
H -1.843611 -2.891796 0.968861
H -2.265184 -1.383048 1.856583
H 1.200611 3.817304 -1.926654
H -0.567699 3.509919 -2.164424
H -4.154867 0.137228 1.856021
H -5.796306 -0.488919 1.500041
H -5.163021 0.936511 0.611268
H -4.798440 -1.979190 -1.873483
H -5.716015 -0.457569 -1.602858
H -6.136374 -1.938201 -0.681815
H -1.065282 3.341058 2.002900
H -0.289778 4.920241 2.350277
H 0.445997 3.405217 2.971076
H 2.621063 4.328329 -0.056309
H 2.725412 3.900490 1.675566
H 1.996110 5.467278 1.182075
H -2.191483 0.663504 -2.183864
H 2.802099 -3.034671 2.047565
H 2.341850 -1.252182 -1.875958
H 5.006767 -4.043432 1.338228
H 4.536928 -2.252325 -2.597431
H 5.866382 -3.646755 -0.988221


