%chk=000259316.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000259316

0 1
O 2.831176 1.757954 0.168516
O -1.824654 1.761642 -0.662936
N -1.613585 -0.356972 0.207198
C -0.280193 -2.973787 -0.033976
C 0.478291 -1.674125 0.014783
C -1.784288 -2.783053 -0.243703
C -0.177596 -0.412780 0.123125
C -2.282769 -1.623999 0.626156
C 2.628816 -0.578155 0.019684
C 1.878401 -1.746342 -0.034562
C 0.562919 0.785272 0.178599
C 1.940250 0.666984 0.123281
C 4.043787 -0.251521 -0.003998
C -2.364301 0.757330 -0.241441
C 4.113180 1.173711 0.088602
C 5.228510 -0.975121 -0.090180
C -3.858153 0.644258 -0.136329
C 5.301596 1.889077 0.098604
C 6.440221 -0.270428 -0.081662
C 6.475619 1.129249 0.010489
C -4.497718 0.980911 1.063203
C -4.601770 0.276472 -1.264377
C -5.893017 0.936931 1.134371
C -5.996800 0.233831 -1.184392
C -6.641258 0.562091 0.013131
H -0.099523 -3.527748 0.912660
H 0.126608 -3.616877 -0.842491
H -1.997831 -2.577435 -1.311907
H -2.331634 -3.711330 0.004397
H -2.041889 -1.806288 1.699213
H -3.387657 -1.533366 0.557590
H 2.378848 -2.709991 -0.117826
H 0.083404 1.767016 0.239328
H 5.213372 -2.059820 -0.162696
H 5.316325 2.972399 0.169255
H 7.376694 -0.821688 -0.148647
H 7.438380 1.640462 0.013397
H -3.911570 1.283287 1.931221
H -4.096348 0.035870 -2.199879
H -6.397404 1.201123 2.063016
H -6.581758 -0.048738 -2.058768
H -7.728881 0.531396 0.071152


%chk=000259316-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000259316

0 1
O 2.706376 1.757096 -0.125168
O -1.917644 1.185370 -1.553223
N -1.657192 -0.606954 -0.044758
C -0.193264 -3.174710 0.163049
C 0.515110 -1.824297 0.076976
C -1.679612 -3.079053 -0.221717
C -0.215183 -0.591514 -0.053310
C -2.300398 -1.849421 0.466791
C 2.628136 -0.582159 0.068417
C 1.927284 -1.801993 0.138447
C 0.474706 0.650895 -0.127660
C 1.864685 0.613055 -0.065529
C 4.030204 -0.173826 0.092549
C -2.419736 0.386240 -0.703706
C 4.028323 1.249111 -0.026116
C 5.270050 -0.845617 0.201535
C -3.876614 0.516712 -0.331132
C 5.190137 2.029850 -0.041280
C 6.457980 -0.080579 0.188314
C 6.419257 1.336113 0.068419
C -4.323152 0.463551 1.015514
C -4.798427 0.853160 -1.355352
C -5.674682 0.725696 1.328442
C -6.152927 1.094174 -1.044200
C -6.595356 1.030720 0.298841
H -0.112535 -3.562910 1.199535
H 0.326822 -3.906731 -0.482564
H -1.796728 -2.976205 -1.316760
H -2.221228 -3.991027 0.090226
H -2.156949 -1.922188 1.563539
H -3.378723 -1.794026 0.263584
H 2.467127 -2.751432 0.234588
H -0.057417 1.593142 -0.251092
H 5.313345 -1.936118 0.293968
H 5.143992 3.118165 -0.134879
H 7.426987 -0.584448 0.271271
H 7.356647 1.902673 0.060025
H -3.609324 0.247028 1.818727
H -4.432178 0.939280 -2.383626
H -6.006866 0.699308 2.372083
H -6.860020 1.342304 -1.843217
H -7.645211 1.229267 0.541652


