%chk=000218995.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000218995

0 1
O -4.490803 -1.548757 -0.619686
O -4.244603 0.677399 -0.315377
N 0.830505 0.373210 0.871104
N -1.383079 0.171003 0.283510
N 4.284857 -0.505712 -0.302582
N -0.325891 -1.886689 0.287459
C 2.268941 0.050498 0.921677
C -0.160663 -0.539113 0.482995
C 0.240536 1.669149 0.815848
C -1.161297 1.546450 0.486413
C 2.875702 -0.046969 -0.497927
C -2.363454 -0.788152 -0.048463
C -1.674230 -2.036699 -0.032325
C 0.789783 2.932487 1.070229
C -1.999802 2.662540 0.417284
C 5.268626 0.484852 -0.854038
C 4.513322 -1.882508 -0.854291
C -0.058760 4.033283 0.994774
C -1.427883 3.903535 0.675283
C -2.250782 -3.365812 -0.303355
C -3.734274 -0.426114 -0.320683
C 6.643187 0.261385 -0.221821
C 3.722954 -2.921419 -0.060438
C -5.890615 -1.303200 -0.921520
H 2.795638 0.820497 1.526698
H 2.392914 -0.923555 1.457478
H 2.275983 -0.753992 -1.114433
H 2.806178 0.934024 -1.010907
H 1.841096 3.044291 1.320268
H -3.060543 2.536187 0.168979
H 5.346201 0.442489 -1.962187
H 4.915099 1.508380 -0.596552
H 4.262198 -1.956072 -1.934960
H 5.601449 -2.103992 -0.762669
H 0.341912 5.029199 1.187936
H -2.047666 4.799052 0.631922
H -2.465059 -3.899682 0.637877
H -3.202044 -3.293854 -0.860514
H -1.560181 -4.001736 -0.879697
H 6.567391 0.207658 0.873096
H 7.101532 -0.677131 -0.554289
H 7.328583 1.077200 -0.472836
H 3.937383 -2.848499 1.013450
H 2.636481 -2.803863 -0.178500
H 3.977469 -3.936539 -0.382670
H -6.365839 -0.785303 -0.081902
H -6.284151 -2.315410 -1.056475
H -5.966400 -0.705499 -1.835186


%chk=000218995-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000218995

0 1
O -4.526973 -1.624950 -0.555282
O -4.313967 0.676721 -0.186081
N 0.801596 0.468540 0.667523
N -1.413877 0.226375 0.239879
N 4.315054 -0.538680 -0.380828
N -0.273033 -1.773483 0.142318
C 2.221731 0.111815 0.807172
C -0.193817 -0.439126 0.352637
C 0.199435 1.748398 0.732815
C -1.210076 1.606860 0.471240
C 2.933502 -0.041186 -0.565670
C -2.377545 -0.773217 -0.068374
C -1.634193 -1.990942 -0.118940
C 0.760142 3.010932 1.006269
C -2.072704 2.717134 0.480077
C 5.375641 0.405896 -0.820323
C 4.515267 -1.934763 -0.851175
C -0.110391 4.124445 1.014124
C -1.500554 3.979896 0.755874
C -2.133991 -3.375745 -0.405190
C -3.779466 -0.468013 -0.261631
C 6.720417 0.190073 -0.098042
C 3.685654 -2.968798 -0.065125
C -5.973430 -1.391150 -0.760227
H 2.727651 0.878814 1.417470
H 2.289267 -0.846662 1.347701
H 2.337002 -0.739566 -1.187839
H 2.928806 0.935402 -1.090124
H 1.829489 3.131054 1.205816
H -3.137791 2.580105 0.279061
H 5.536940 0.360457 -1.927918
H 5.020972 1.429472 -0.595483
H 4.282392 -2.026844 -1.943531
H 5.586354 -2.178623 -0.732925
H 0.297496 5.119167 1.223699
H -2.144713 4.865230 0.770178
H -2.912680 -3.679235 0.316545
H -2.597659 -3.438420 -1.405690
H -1.289322 -4.080476 -0.349512
H 6.577186 0.248104 0.995217
H 7.166129 -0.792845 -0.332827
H 7.447280 0.965475 -0.403933
H 3.942899 -2.931029 1.008756
H 2.597471 -2.803600 -0.168002
H 3.902736 -3.986838 -0.438748
H -6.428170 -0.960642 0.148129
H -6.388054 -2.386274 -0.976223
H -6.138204 -0.700765 -1.604863


