%chk=000267644.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000267644

0 1
O -0.630724 1.587787 -2.137622
O -0.984223 -1.930062 -1.546375
O -4.261010 0.069172 0.843814
O -1.960086 -0.381211 2.701638
O 0.841326 1.311500 -3.836581
O -2.175013 -2.311520 -3.432032
O -3.987845 1.983123 2.023374
N -1.015940 0.262481 0.739084
N 1.360786 -0.108308 0.304525
N 2.745040 -1.913014 0.660051
N 2.891131 1.704409 1.125843
N 5.059306 0.834666 1.861553
N 5.612254 -1.464229 1.826433
C 0.156163 0.672585 -0.069747
C -2.091525 -0.376430 -0.082151
C -0.219582 0.336230 -1.545850
C -1.471518 -0.563459 -1.486297
C -3.339088 0.528785 -0.172161
C -1.063157 0.238193 2.157900
C 2.549685 0.406719 0.838525
C 1.540889 -1.536066 0.230344
C -0.010757 0.999186 2.894300
C 3.404738 -0.730983 1.047381
C -0.003486 1.994740 -3.320673
C -1.411698 -2.736006 -2.604097
C 4.704294 -0.471779 1.578048
C -4.397813 0.847859 1.989320
C -0.577919 3.303923 -3.712415
C -0.771932 -4.066176 -2.462863
C 4.152324 1.832161 1.625132
C -5.104088 0.050130 3.021109
H 0.378490 1.771259 0.067674
H -2.384277 -1.360453 0.380015
H 0.614469 -0.119641 -2.131525
H -2.175610 -0.370784 -2.328254
H -3.903438 0.379837 -1.110446
H -3.106378 1.603660 -0.033630
H 0.745513 -2.173483 -0.148515
H 0.345172 1.904997 2.380024
H 0.872646 0.372753 3.095273
H -0.399741 1.321284 3.875838
H -1.340181 3.666877 -3.001329
H 0.210036 4.074185 -3.775711
H -1.051011 3.243959 -4.707395
H -0.031104 -4.231319 -3.264768
H -1.520468 -4.872678 -2.546405
H -0.247615 -4.193861 -1.501235
H 4.488093 2.855046 1.871609
H -4.350504 -0.507556 3.615976
H -5.671929 0.690200 3.710503
H -5.782279 -0.700442 2.588516
H 6.528136 -1.247528 2.188149
H 5.387648 -2.424517 1.614325


%chk=000267644-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000267644

0 1
O -0.631543 1.705508 -1.883741
O -0.693553 -1.990530 -1.744455
O -4.201341 0.403480 0.688401
O -2.194200 -1.014925 2.500025
O 0.032844 1.236887 -4.071955
O -2.656019 -2.731574 -2.764324
O -3.155534 2.171041 1.803560
N -1.026379 -0.167941 0.689312
N 1.419253 -0.231869 0.387380
N 3.015331 -1.851040 0.705291
N 2.703839 1.759333 1.133741
N 4.986638 1.172419 1.837425
N 5.819891 -1.038141 1.795631
C 0.154634 0.446377 0.041876
C -2.096565 -0.537924 -0.282914
C -0.160961 0.358769 -1.476911
C -1.320978 -0.648637 -1.613089
C -3.230152 0.511905 -0.420689
C -1.183941 -0.383744 2.063179
C 2.554446 0.429350 0.876896
C 1.756495 -1.597024 0.304592
C -0.109614 0.158148 2.994608
C 3.526803 -0.586882 1.064505
C -0.445677 2.041825 -3.247986
C -1.501909 -2.977302 -2.359551
C 4.792597 -0.164031 1.568873
C -4.015478 1.261928 1.787128
C -0.880604 3.464815 -3.494228
C -0.774116 -4.297856 -2.414373
C 3.954090 2.041020 1.613228
C -4.960062 0.886658 2.899142
H 0.303087 1.504544 0.330469
H -2.550583 -1.496498 0.022563
H 0.708928 0.068738 -2.088142
H -1.948383 -0.462838 -2.499608
H -3.824792 0.283493 -1.321147
H -2.824958 1.537638 -0.465486
H 1.047709 -2.335495 -0.060078
H 0.309123 1.122567 2.662357
H 0.721751 -0.563889 3.091928
H -0.567648 0.284749 3.987046
H -1.846247 3.669618 -3.003700
H -0.138373 4.157504 -3.058047
H -0.952008 3.649974 -4.575518
H 0.298367 -4.150099 -2.616884
H -1.226128 -4.935861 -3.187878
H -0.867992 -4.811926 -1.439950
H 4.156823 3.090344 1.846561
H -4.517028 0.022950 3.428858
H -5.072533 1.725287 3.601840
H -5.938891 0.574872 2.502016
H 6.701534 -0.679553 2.156872
H 5.696210 -2.029963 1.603550


