%chk=000182792.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000182792

0 1
O -8.219689 -0.023368 -0.140666
N -5.386620 -0.344987 -0.233464
N 0.276801 -0.498408 0.058541
N 2.948503 2.763958 0.575110
C -6.046498 0.839415 -0.868546
C -6.174987 -0.813751 0.950175
C -7.473637 0.443346 -1.281901
C -7.598432 -1.163015 0.485214
C -3.969637 -0.294159 -0.085239
C -3.182209 0.520371 -0.933606
C -3.311893 -1.159881 0.820872
C -1.156365 -0.395661 0.024865
C 2.579775 0.339215 0.153104
C 1.137133 0.584400 0.238530
C -1.793852 0.465032 -0.885635
C -1.923211 -1.208553 0.878081
C 3.446687 1.473966 0.332312
C 4.541241 -1.082301 -0.162795
C 5.400077 0.050386 0.021398
C 3.149857 -0.914764 -0.093833
C 4.841156 1.310096 0.264968
C 0.686769 1.868255 0.490667
C 5.136987 -2.374001 -0.417022
C 6.831476 -0.144539 -0.052106
C 1.635479 2.924972 0.646439
C 6.490510 -2.515961 -0.479255
C 7.353239 -1.379345 -0.292794
H -5.470005 1.148346 -1.769976
H -6.077288 1.711923 -0.178759
H -6.213605 -0.040947 1.749765
H -5.692492 -1.718161 1.385428
H -8.065915 1.314468 -1.614259
H -7.473056 -0.341186 -2.059542
H -7.602784 -2.011556 -0.222011
H -8.274084 -1.366527 1.335018
H -3.659465 1.189509 -1.649816
H -3.892213 -1.806399 1.479472
H -1.198043 1.088630 -1.554995
H -1.434881 -1.874286 1.589221
H 0.661571 -1.440097 0.036834
H 2.511532 -1.787051 -0.240950
H 5.478630 2.185715 0.405975
H -0.368608 2.095826 0.595580
H 4.473566 -3.225889 -0.557208
H 7.471886 0.725231 0.090702
H 1.269795 3.942592 0.841352
H 6.950629 -3.483830 -0.670191
H 8.429468 -1.537329 -0.350255


%chk=000182792-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000182792

0 1
O -8.313580 -0.155673 -0.343568
N -5.421405 -0.332915 -0.184311
N 0.275853 -0.318882 0.375037
N 3.154375 2.867848 0.624661
C -6.070342 0.613179 -1.116340
C -6.281482 -0.671513 0.978175
C -7.465351 0.098527 -1.516458
C -7.661138 -1.161296 0.509588
C -4.012611 -0.283212 -0.018604
C -3.208666 0.704174 -0.664124
C -3.331325 -1.259781 0.769463
C -1.142985 -0.253886 0.259447
C 2.611496 0.441437 0.231348
C 1.189718 0.736105 0.411734
C -1.805978 0.708345 -0.542809
C -1.934135 -1.235398 0.914167
C 3.553481 1.550829 0.374000
C 4.502303 -1.092795 -0.221770
C 5.441907 0.007328 -0.043485
C 3.111548 -0.843099 -0.082424
C 4.938735 1.299967 0.241621
C 0.822077 2.072737 0.645505
C 5.015845 -2.399387 -0.542085
C 6.852224 -0.255062 -0.181939
C 1.831416 3.079140 0.738577
C 6.385268 -2.616305 -0.669853
C 7.313364 -1.532555 -0.485925
H -5.463325 0.697579 -2.035254
H -6.161920 1.629234 -0.665870
H -6.416350 0.223422 1.628177
H -5.807577 -1.458780 1.585987
H -8.001190 0.854402 -2.113725
H -7.358407 -0.836632 -2.108306
H -7.553876 -2.115431 -0.050839
H -8.337489 -1.307056 1.367605
H -3.672688 1.488095 -1.268876
H -3.891850 -2.059827 1.262782
H -1.225486 1.459399 -1.086904
H -1.447131 -1.992501 1.541458
H 0.659919 -1.253386 0.521422
H 2.430727 -1.684678 -0.266343
H 5.615325 2.152793 0.360618
H -0.220861 2.350022 0.812561
H 4.308784 -3.226273 -0.682404
H 7.556625 0.573674 -0.044812
H 1.526268 4.114300 0.938361
H 6.765655 -3.614901 -0.911310
H 8.387534 -1.721612 -0.589161


