%chk=000258312.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000258312

0 1
O -6.139507 1.099185 0.598447
O -5.827672 -0.955233 -0.228926
N -1.565445 -0.280182 0.109141
N 1.315995 -0.119503 -0.141520
C -0.910702 0.862215 -0.608572
C -0.730597 -1.516396 -0.047034
C 0.483328 1.115510 -0.000175
C 0.664734 -1.268860 0.561021
C -2.960553 -0.506615 -0.384632
C 2.727579 0.019710 -0.006144
C -3.894560 0.434375 0.396065
C 3.356723 1.257925 -0.276098
C 3.536414 -1.105991 0.277460
C -5.327405 0.058804 0.196837
C 4.746789 1.353929 -0.268057
C 4.924805 -0.988279 0.280419
C 5.541043 0.237864 0.012264
H -1.536954 1.769353 -0.471722
H -0.814800 0.686850 -1.703161
H -0.626108 -1.837088 -1.106980
H -1.224048 -2.344958 0.506205
H 0.970856 1.956426 -0.544277
H 0.383698 1.420683 1.065768
H 0.574559 -1.080441 1.654581
H 1.285729 -2.184422 0.429910
H -3.080344 -0.346712 -1.477681
H -3.265203 -1.562094 -0.191906
H -3.726492 1.497076 0.118632
H -3.646160 0.394230 1.485105
H 2.760926 2.138488 -0.506743
H 3.080957 -2.073206 0.479478
H 5.218444 2.312997 -0.481942
H 5.535891 -1.864646 0.496322
H 6.623178 0.321891 0.019804
H -7.106698 0.891515 0.501610


%chk=000258312-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000258312

0 1
O -6.208380 1.270791 0.238100
O -5.837674 -1.004672 -0.028454
N -1.568965 -0.324946 0.207718
N 1.319926 -0.124076 -0.029018
C -0.935550 0.773117 -0.562247
C -0.723882 -1.541525 0.110048
C 0.476349 1.085580 -0.032286
C 0.678970 -1.262078 0.671140
C -2.969924 -0.592061 -0.195879
C 2.732763 0.010890 -0.008077
C -3.916242 0.539203 0.247926
C 3.364355 1.290256 0.070912
C 3.579388 -1.136788 -0.107968
C -5.374370 0.146581 0.127715
C 4.770353 1.409122 0.034891
C 4.981064 -1.005389 -0.132316
C 5.595855 0.267783 -0.064658
H -1.548502 1.687754 -0.472393
H -0.863680 0.510965 -1.649302
H -0.631154 -1.893103 -0.948944
H -1.194609 -2.348382 0.701514
H 0.928248 1.840268 -0.698717
H 0.393271 1.526245 0.988801
H 0.589192 -1.040718 1.759461
H 1.294336 -2.167786 0.561317
H -3.068519 -0.753145 -1.299060
H -3.296882 -1.528773 0.289932
H -3.763713 1.474301 -0.319161
H -3.711302 0.781680 1.309557
H 2.766743 2.199171 0.184649
H 3.144615 -2.137281 -0.197903
H 5.220868 2.406696 0.100200
H 5.598419 -1.907525 -0.217258
H 6.686185 0.364580 -0.086920
H -7.159151 0.977663 0.190180


