%chk=000226178.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000226178

0 1
O -8.407839 0.317587 -0.395596
O 5.518095 1.503074 1.011034
O 4.400243 -2.951049 -0.494217
O 6.322494 -1.082368 0.631319
O 0.634801 1.263361 -1.317007
N -5.656849 0.135886 0.313718
N 0.007489 -0.322744 0.241623
C -6.353142 -1.016681 -0.352312
C -6.242170 1.434878 -0.148729
C -7.845987 -0.948370 0.007002
C -7.735636 1.436870 0.217977
C -4.215138 0.045338 0.191984
C -3.441011 0.847515 -0.662348
C -3.573247 -0.872846 1.050375
C -1.416440 -0.167698 0.194290
C -2.049423 0.748969 -0.660029
C -2.187609 -0.983132 1.051883
C 2.369512 0.001653 -0.230363
C 0.943662 0.399011 -0.521369
C 2.795397 -1.296811 -0.473834
C 3.234589 0.983709 0.267728
C 4.565623 0.640432 0.527913
C 4.145023 -1.637502 -0.218442
C 5.043531 -0.677270 0.288660
C 5.125671 2.881655 1.241639
C 5.747639 -3.457507 -0.296748
C 7.391014 -0.317574 0.006467
H -5.913608 -1.966619 0.017957
H -6.226482 -1.003685 -1.456781
H -6.125600 1.600920 -1.241773
H -5.719982 2.263657 0.376488
H -8.013438 -1.087059 1.089739
H -8.448009 -1.670023 -0.572287
H -8.269917 2.300686 -0.214192
H -7.889479 1.394612 1.310729
H -3.913881 1.555132 -1.341904
H -4.170060 -1.486550 1.725835
H -1.456900 1.384152 -1.328944
H -1.707511 -1.694559 1.720752
H 0.355676 -1.025798 0.899544
H 2.133070 -2.060172 -0.879786
H 2.865597 1.993167 0.430260
H 6.064683 3.318768 1.605310
H 4.348264 2.930485 2.009829
H 4.807178 3.349459 0.305333
H 6.062633 -3.300301 0.741977
H 5.618800 -4.520525 -0.530378
H 6.434096 -2.965598 -0.990856
H 7.292793 -0.342065 -1.080291
H 7.380456 0.711792 0.386405
H 8.281125 -0.855559 0.348715


%chk=000226178-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000226178

0 1
O -8.586976 0.233053 -0.409619
O 5.787546 1.674544 0.697091
O 4.312075 -2.987660 0.268822
O 6.438393 -1.039497 0.743729
O 0.728341 1.857047 -0.274515
N -5.719234 0.067924 0.012964
N -0.016366 -0.294055 0.299331
C -6.495265 -1.095870 -0.484344
C -6.362523 1.358280 -0.311235
C -7.950709 -1.027465 0.004331
C -7.829476 1.358964 0.156359
C -4.299841 -0.005120 0.042510
C -3.475855 1.110067 -0.290467
C -3.637540 -1.200061 0.457174
C -1.429157 -0.144486 0.200731
C -2.070636 1.053129 -0.206229
C -2.237447 -1.266397 0.529044
C 2.391445 0.150626 0.189164
C 0.976144 0.647799 0.042718
C 2.754895 -1.212423 0.159198
C 3.395133 1.139341 0.336086
C 4.741448 0.761516 0.486967
C 4.110926 -1.602322 0.289237
C 5.125839 -0.618569 0.469662
C 5.428677 3.092692 0.816471
C 5.590128 -3.558751 -0.193381
C 7.518184 -0.524640 -0.128237
H -6.042288 -2.035606 -0.129932
H -6.487406 -1.115367 -1.598799
H -6.319526 1.570765 -1.405331
H -5.836228 2.172764 0.217427
H -7.981860 -1.116483 1.112205
H -8.555643 -1.828695 -0.450970
H -8.346734 2.269199 -0.188988
H -7.863853 1.309042 1.266574
H -3.924568 2.043996 -0.640797
H -4.215889 -2.079693 0.755773
H -1.460937 1.921728 -0.460972
H -1.765778 -2.202373 0.857241
H 0.301465 -1.206077 0.633835
H 2.037997 -2.018997 -0.027321
H 3.075423 2.184536 0.330757
H 6.378488 3.611371 1.012871
H 4.729425 3.254861 1.658117
H 4.977680 3.473179 -0.119525
H 6.381866 -3.419485 0.558293
H 5.372400 -4.628067 -0.342713
H 5.903680 -3.103810 -1.152710
H 7.341106 -0.827829 -1.179186
H 7.584806 0.572105 -0.055368
H 8.438021 -0.996031 0.250260


