%chk=000261891.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000261891

0 1
O -5.082777 -0.813443 0.358550
O 4.412899 -1.886775 -0.285376
O -3.844027 -1.666089 -1.318142
O 3.213629 -1.788855 1.619077
N -2.106798 2.085812 0.825993
N 2.090274 1.296621 -1.682925
C 0.047698 2.375577 -0.549996
C -1.235784 1.657683 -0.207716
C 1.172093 1.369419 -0.604929
C -0.167523 3.086562 -1.904052
C 0.426962 3.433305 0.509792
C -1.813695 0.535985 -0.803763
C 1.546549 0.403145 0.329664
C -3.060682 0.272292 -0.121592
C 2.713980 -0.274826 -0.186814
C -3.211855 1.246772 0.883970
C 3.023513 0.298323 -1.435490
C -1.260955 -0.256335 -1.918903
C 0.874832 0.103615 1.608631
C -4.291853 1.454025 1.867128
C 4.098952 -0.012961 -2.395904
C -3.953719 -0.816291 -0.456828
C 3.404828 -1.341570 0.505846
C -6.052142 -1.887361 0.168113
C 5.218600 -2.956104 0.294068
C -5.567641 -3.144029 0.863693
C 6.278291 -2.365431 1.203311
H -1.039072 3.751726 -1.853495
H -0.375897 2.367435 -2.705261
H 0.688778 3.701844 -2.190568
H 1.397532 3.885837 0.269520
H -0.301037 4.246413 0.563435
H 0.536089 2.983149 1.503818
H -1.932918 2.871738 1.424413
H 2.051817 1.876705 -2.500256
H -0.271224 -0.668066 -1.662768
H -1.147473 0.343439 -2.830902
H -1.911116 -1.115762 -2.173705
H 1.413346 -0.674306 2.183414
H -0.147950 -0.272066 1.439684
H 0.800203 0.989798 2.251363
H -4.918498 0.539716 1.948535
H -4.973655 2.261386 1.559144
H -3.923246 1.679829 2.875570
H 4.609814 0.879237 -2.778714
H 4.872098 -0.650260 -1.915186
H 3.723533 -0.591628 -3.254036
H -6.206143 -2.038489 -0.915933
H -6.950884 -1.448664 0.636002
H 5.635293 -3.425312 -0.614516
H 4.549206 -3.656238 0.826730
H -6.334068 -3.926278 0.863761
H -4.677484 -3.551172 0.359148
H -5.283227 -2.945394 1.904060
H 6.987696 -3.127647 1.542912
H 6.844672 -1.572392 0.700948
H 5.818469 -1.917542 2.097880


%chk=000261891-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000261891

0 1
O -5.298574 -0.716706 0.353475
O 4.702361 -1.802179 -0.301294
O -4.082836 -1.577368 -1.449050
O 3.382462 -1.873498 1.627054
N -2.135618 1.997876 0.820981
N 2.114788 1.219723 -1.623516
C 0.050018 2.263193 -0.504400
C -1.275720 1.556100 -0.205654
C 1.206576 1.258605 -0.545592
C -0.095104 3.010983 -1.868473
C 0.375296 3.332493 0.587604
C -1.914987 0.483118 -0.840987
C 1.639337 0.308141 0.388633
C -3.190569 0.284245 -0.161176
C 2.838644 -0.314361 -0.161657
C -3.296480 1.245563 0.875225
C 3.107212 0.275471 -1.422559
C -1.390346 -0.322143 -2.004162
C 0.993309 -0.018783 1.712431
C -4.354833 1.525399 1.904089
C 4.178704 0.046461 -2.450709
C -4.171645 -0.743590 -0.506388
C 3.612493 -1.367815 0.494325
C -6.334317 -1.756716 0.093443
C 5.557503 -2.865591 0.298504
C -5.991038 -3.063496 0.816564
C 6.643323 -2.259057 1.193863
H -0.946357 3.710993 -1.813754
H -0.300297 2.309593 -2.696562
H 0.808963 3.606537 -2.106114
H 1.345384 3.806315 0.359484
H -0.388616 4.135016 0.612442
H 0.460984 2.876254 1.589929
H -1.922876 2.761067 1.461713
H 2.039429 1.797193 -2.459341
H -0.295872 -0.222802 -2.095684
H -1.855275 -0.006329 -2.958479
H -1.641661 -1.388466 -1.884236
H 1.070916 -1.096885 1.925696
H -0.070721 0.271218 1.718546
H 1.503373 0.494900 2.550933
H -4.500724 0.659248 2.573043
H -5.332179 1.713276 1.427910
H -4.086614 2.404034 2.520272
H 4.061265 0.737681 -3.306206
H 5.183563 0.188843 -2.017406
H 4.152547 -0.989800 -2.830458
H -6.411492 -1.916270 -0.996548
H -7.263514 -1.305084 0.478911
H 5.986803 -3.381872 -0.576138
H 4.914304 -3.557017 0.870809
H -6.808721 -3.796207 0.680663
H -5.064661 -3.499918 0.407428
H -5.857284 -2.891475 1.898959
H 7.318084 -3.055628 1.560039
H 7.248717 -1.522999 0.636183
H 6.190874 -1.761382 2.067794


