%chk=000271686.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000271686

0 1
O 1.836858 2.334745 0.949166
O 3.986998 -2.098781 1.687306
O 2.655735 3.434194 -0.854098
O -0.446959 0.686634 -2.818175
O 5.242184 -1.019919 0.141623
O -8.016716 -0.852381 0.481603
N 0.370418 0.763268 -0.694038
N -5.739548 -1.035976 0.479823
C 1.710766 1.182020 -1.138970
C 2.772407 0.082196 -0.957656
C 2.880510 -0.438358 0.475765
C 2.133391 2.454345 -0.389795
C -0.651434 0.528250 -1.627025
C 4.175666 -1.171696 0.687241
C -1.955385 0.108514 -1.040239
C -2.049595 -0.911060 -0.084235
C -3.124350 0.729467 -1.508512
C -4.466494 -0.659955 -0.032602
C -3.288919 -1.296128 0.420985
C -4.368522 0.360573 -1.008014
C 2.186821 3.449211 1.835205
C 5.121006 -2.939022 2.075023
C 3.667323 3.410264 2.144445
C -5.820332 -2.053937 1.558808
C 5.330528 -4.029535 1.046005
C -6.963729 -0.491146 -0.000443
H 1.657113 1.449280 -2.244195
H 2.536048 -0.756702 -1.647307
H 3.761681 0.469335 -1.297248
H 2.825116 0.404868 1.209787
H 2.021370 -1.095648 0.728457
H 0.223687 0.692838 0.309706
H -1.149122 -1.421911 0.262903
H -3.051211 1.506153 -2.276397
H -3.332188 -2.095187 1.157925
H -5.258619 0.864480 -1.382956
H 1.548024 3.228253 2.709211
H 1.877793 4.391670 1.348123
H 6.008922 -2.293581 2.197154
H 4.771376 -3.320111 3.051794
H 3.982009 2.433427 2.531419
H 4.268422 3.611077 1.243302
H 3.940748 4.167287 2.890123
H -5.262972 -1.728753 2.451993
H -5.436792 -3.028320 1.214712
H -6.880331 -2.198866 1.858407
H 4.400781 -4.573496 0.836802
H 5.684581 -3.611616 0.090881
H 6.077382 -4.759258 1.380569
H -6.863645 0.251097 -0.808561


%chk=000271686-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000271686

0 1
O 1.612232 2.809826 1.131142
O 4.513943 -1.973442 1.112948
O 3.385555 3.363162 -0.283789
O -0.114599 0.467212 -2.664235
O 4.284228 -2.031836 -1.210726
O -7.525183 -2.477980 -0.002116
N 0.485715 1.139927 -0.528084
N -5.580020 -1.231507 0.437371
C 1.795692 1.623562 -0.986342
C 2.836792 0.477230 -1.176742
C 3.119580 -0.297403 0.122765
C 2.359590 2.690887 -0.047914
C -0.407496 0.582138 -1.429169
C 4.015353 -1.504002 -0.107912
C -1.732548 0.125030 -0.883687
C -2.018298 -0.027101 0.497135
C -2.753952 -0.179089 -1.819299
C -4.300477 -0.779107 -0.011660
C -3.280866 -0.474701 0.930325
C -4.023433 -0.608197 -1.398787
C 2.101852 3.804630 2.141608
C 5.370129 -3.200536 1.056284
C 3.160163 3.175838 3.050602
C -6.066326 -0.870418 1.786181
C 4.507799 -4.465562 1.081987
C -6.379088 -2.079431 -0.341186
H 1.662918 2.091799 -1.981886
H 2.445240 -0.206126 -1.948701
H 3.767533 0.921816 -1.571734
H 3.588892 0.337805 0.896992
H 2.169009 -0.667211 0.557206
H 0.207673 1.391313 0.421867
H -1.251139 0.164527 1.256797
H -2.526800 -0.053579 -2.882881
H -3.464772 -0.607339 2.000377
H -4.805510 -0.770819 -2.146373
H 1.189221 4.084153 2.691494
H 2.502913 4.676780 1.596955
H 5.987791 -3.154571 0.142130
H 6.006200 -3.113484 1.951652
H 2.776033 2.261382 3.534821
H 4.070628 2.926712 2.480453
H 3.439073 3.893799 3.843827
H -5.918716 0.207158 1.967538
H -5.548996 -1.450076 2.573067
H -7.139101 -1.115605 1.825521
H 3.849868 -4.476834 1.968198
H 3.887088 -4.534810 0.173042
H 5.157872 -5.359312 1.123085
H -5.890455 -2.394507 -1.284343


