%chk=000210957.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000210957

0 1
O 2.279837 0.772214 1.294262
N -1.484639 -0.343540 -0.368063
N -4.273377 -0.993513 0.081788
C -2.246197 0.259016 0.777899
C -2.018282 -1.706329 -0.683168
C -3.734470 0.370279 0.394561
C -3.507421 -1.581138 -1.067349
C -0.051702 -0.230175 -0.226540
C -5.740441 -0.945681 -0.237256
C 0.415338 1.175746 -0.263364
C 0.773319 -1.300749 -0.165342
C -6.546987 -0.670078 1.032093
C 1.529628 1.620501 0.469286
C 2.229164 -1.263264 -0.094747
C -0.261096 2.133177 -1.044679
C 2.934804 -0.266059 0.605144
C 1.935343 2.963014 0.488428
C 2.992976 -2.291527 -0.679916
C 0.134691 3.470935 -1.047061
C 1.221839 3.890007 -0.268798
C 4.327677 -0.271247 0.741531
C 4.383570 -2.313488 -0.557337
C 5.051197 -1.312556 0.159038
H -1.841183 1.269341 1.000601
H -2.138975 -0.350706 1.703363
H -1.911776 -2.412718 0.170607
H -1.452351 -2.121982 -1.544806
H -4.300393 0.778058 1.260144
H -3.855118 1.086658 -0.446828
H -3.603851 -0.987116 -2.002222
H -3.911281 -2.595571 -1.273726
H -5.990251 -0.196701 -1.019593
H -6.032411 -1.940987 -0.642185
H 0.368071 -2.315362 -0.141803
H -6.440448 0.364831 1.373907
H -7.612845 -0.859890 0.868134
H -6.214154 -1.318433 1.855192
H -1.112044 1.814704 -1.653911
H 2.794431 3.253634 1.089966
H 2.487546 -3.079944 -1.236442
H -0.403956 4.193287 -1.657334
H 1.517107 4.938806 -0.263582
H 4.817694 0.522166 1.302004
H 4.953212 -3.117625 -1.019984
H 6.134702 -1.342993 0.259389


%chk=000210957-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000210957

0 1
O 2.450257 0.823909 1.235099
N -1.452217 -0.412963 -0.136110
N -4.292060 -0.984152 0.061262
C -2.307092 0.250528 0.887642
C -1.984030 -1.737387 -0.513018
C -3.760108 0.357465 0.402107
C -3.444412 -1.608759 -0.982368
C -0.044111 -0.220290 -0.054427
C -5.725006 -0.971185 -0.331900
C 0.394951 1.206093 -0.116247
C 0.830910 -1.291650 -0.075813
C -6.670181 -0.578956 0.818083
C 1.595694 1.678834 0.478475
C 2.296399 -1.266957 -0.098855
C -0.394670 2.160285 -0.820691
C 3.074916 -0.242456 0.513245
C 1.972720 3.035879 0.416052
C 3.016792 -2.361974 -0.662438
C -0.027467 3.518566 -0.895792
C 1.156409 3.965387 -0.263147
C 4.480663 -0.286900 0.550950
C 4.424518 -2.422715 -0.633279
C 5.164801 -1.381371 -0.024861
H -1.906580 1.253890 1.103091
H -2.286051 -0.338752 1.831843
H -1.938444 -2.453719 0.340332
H -1.376217 -2.144103 -1.341095
H -4.370429 0.796590 1.210327
H -3.802832 1.050256 -0.479472
H -3.461468 -1.018419 -1.935403
H -3.838850 -2.618799 -1.201945
H -5.900482 -0.293853 -1.208871
H -5.977076 -1.996135 -0.666535
H 0.399880 -2.298749 -0.110622
H -6.551161 0.477273 1.118715
H -7.721807 -0.715841 0.506666
H -6.481004 -1.214400 1.701040
H -1.301971 1.800603 -1.317729
H 2.900527 3.339581 0.910249
H 2.446718 -3.174089 -1.130120
H -0.658790 4.224271 -1.446194
H 1.446020 5.020991 -0.303961
H 5.017159 0.524479 1.052490
H 4.943123 -3.279350 -1.077200
H 6.258558 -1.423957 0.011725


