%chk=000243927.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000243927

0 1
O 0.805284 0.896675 0.246556
O -3.418964 -1.924853 -0.936286
O -1.098047 -2.108405 1.045354
O -0.138937 -1.764356 -0.864267
O -4.835262 -1.068485 0.575560
N -0.835809 -1.427363 0.076406
C -0.554238 1.060887 0.080083
C -1.075167 2.381562 0.100535
C -1.411886 -0.050952 0.037980
C -2.804361 0.146041 0.008513
C 1.565625 0.645852 -0.995981
C -2.461362 2.550831 0.073235
C -3.319590 1.445768 0.027585
C 2.857380 0.062563 -0.504710
C -0.154294 3.548518 0.161808
C 3.942859 0.899055 -0.205587
C 2.975876 -1.325894 -0.341017
C -3.796368 -0.966625 -0.028595
C 5.145468 0.345218 0.241971
C 4.180266 -1.873353 0.107989
C 5.265628 -1.039727 0.397599
H 1.679208 1.622503 -1.495323
H 0.996638 -0.051537 -1.641677
H -2.885123 3.557698 0.092663
H -4.403729 1.598778 0.018872
H 0.872840 3.244362 0.432384
H -0.099043 4.070313 -0.804777
H -0.472810 4.284835 0.914491
H 3.849441 1.977647 -0.314935
H 2.123764 -1.976521 -0.559315
H 5.988642 0.993669 0.473272
H 4.270774 -2.951308 0.235726
H 6.203181 -1.468821 0.747417
H -4.050785 -2.697872 -0.966529


%chk=000243927-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000243927

0 1
O 0.711545 0.626444 0.360912
O -3.526516 -2.109517 -0.678669
O -1.298326 -2.159527 1.197438
O -0.288128 -1.892012 -0.829666
O -5.259181 -0.695298 -0.052618
N -1.033092 -1.486440 0.140263
C -0.639186 0.945759 0.141722
C -1.080239 2.299965 0.154271
C -1.583847 -0.106302 0.043140
C -2.974266 0.146843 -0.066591
C 1.596324 0.660364 -0.868944
C -2.471698 2.548757 0.058859
C -3.400535 1.498461 -0.055216
C 2.941907 0.105923 -0.479016
C -0.081182 3.426302 0.308515
C 4.057274 0.963937 -0.315171
C 3.101069 -1.288851 -0.271173
C -4.034831 -0.889862 -0.235265
C 5.318056 0.439760 0.049957
C 4.358090 -1.812470 0.099297
C 5.469495 -0.950257 0.258896
H 1.673266 1.708113 -1.217045
H 1.100139 0.042009 -1.638752
H -2.828222 3.584346 0.080450
H -4.473916 1.695099 -0.133948
H 0.789977 3.094650 0.898175
H 0.291857 3.769260 -0.676320
H -0.541126 4.296671 0.805755
H 3.938862 2.043576 -0.471744
H 2.237269 -1.952263 -0.395076
H 6.176054 1.110039 0.172431
H 4.473712 -2.889857 0.260936
H 6.445614 -1.359408 0.543059
H -4.259118 -2.777512 -0.751862


