%chk=000216738.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000216738

0 1
N -3.455570 -0.689691 0.354912
N -0.633290 -0.935283 1.067262
C -2.382115 -0.771075 -0.692238
C -2.882235 -0.015297 1.568189
C -1.190859 -1.592110 -0.160138
C -1.705608 -0.848841 2.114304
C -4.680006 0.037739 -0.156935
C 0.549617 -1.692060 1.603843
C 1.679497 -1.705300 0.599735
C -5.757632 0.063759 0.939351
C -5.235295 -0.689475 -1.392158
C 2.445571 -0.560263 0.308901
C 1.976589 -2.917062 -0.047204
C 2.200621 0.769228 0.975918
C 3.493754 -0.654296 -0.624153
C 3.020200 -2.999373 -0.969019
C 1.884753 1.845948 -0.030168
C 3.780861 -1.861828 -1.259346
C 2.842620 2.812868 -0.367797
C 0.615180 1.885144 -0.628803
C 2.530760 3.809927 -1.297673
C 0.310937 2.881607 -1.556976
C 1.267372 3.846875 -1.893831
H -2.029056 0.231052 -1.022292
H -2.793866 -1.287074 -1.586208
H -3.668896 0.043958 2.350642
H -2.541024 1.022801 1.360769
H -1.511379 -2.640844 0.021078
H -0.390640 -1.617486 -0.932879
H -1.284124 -0.343144 3.008197
H -2.076473 -1.846340 2.437243
H -4.430440 1.094094 -0.442556
H 0.292507 -2.731460 1.909746
H 0.886969 -1.174703 2.532550
H -6.704743 0.451163 0.550614
H -5.946234 -0.946671 1.325892
H -5.469480 0.691765 1.788378
H -4.568541 -0.606672 -2.256341
H -6.206364 -0.278794 -1.686687
H -5.376884 -1.758800 -1.185940
H 1.384472 -3.804464 0.171627
H 3.088876 1.040171 1.584897
H 1.357874 0.704263 1.701686
H 4.080203 0.233892 -0.859385
H 3.240367 -3.943842 -1.461404
H 4.593756 -1.918342 -1.980589
H 3.827986 2.791768 0.090933
H -0.126330 1.126873 -0.359362
H 3.276328 4.559018 -1.556988
H -0.672917 2.908887 -2.020798
H 1.027534 4.622291 -2.616899


%chk=000216738-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000216738

0 1
N -3.524572 -0.736187 0.404026
N -0.680810 -1.042157 1.049102
C -2.491491 -0.915828 -0.651168
C -2.903966 -0.062333 1.576655
C -1.287398 -1.713620 -0.125886
C -1.706179 -0.867101 2.106419
C -4.747997 -0.021151 -0.096253
C 0.522908 -1.757174 1.560984
C 1.685788 -1.754085 0.574597
C -5.804897 0.120542 1.024000
C -5.375467 -0.768434 -1.296034
C 2.404866 -0.564017 0.253468
C 2.065073 -2.976178 -0.037898
C 2.086556 0.785260 0.910668
C 3.470788 -0.640326 -0.679455
C 3.132755 -3.041935 -0.958884
C 1.906978 1.931352 -0.082333
C 3.839535 -1.861760 -1.282360
C 2.863951 2.970273 -0.194506
C 0.757265 1.972135 -0.914304
C 2.683803 4.024784 -1.120861
C 0.574203 3.021789 -1.839415
C 1.538670 4.052898 -1.948222
H -2.130365 0.073516 -1.037466
H -2.925506 -1.472036 -1.498294
H -3.646972 0.019358 2.386955
H -2.557670 0.971359 1.316381
H -1.629483 -2.747507 0.136776
H -0.527604 -1.798620 -0.923011
H -1.251507 -0.325800 2.958340
H -2.077416 -1.854480 2.482176
H -4.465865 1.011157 -0.439383
H 0.276952 -2.817617 1.822784
H 0.815005 -1.258995 2.506144
H -6.742052 0.525963 0.602462
H -6.020424 -0.869075 1.467405
H -5.487285 0.804674 1.829479
H -4.743481 -0.736751 -2.200002
H -6.343164 -0.304592 -1.558315
H -5.555369 -1.826319 -1.029872
H 1.508755 -3.888015 0.214148
H 2.908409 1.041058 1.609095
H 1.161753 0.688764 1.502729
H 4.010833 0.278073 -0.939247
H 3.406553 -3.997887 -1.419084
H 4.668311 -1.892447 -1.998874
H 3.752239 2.957000 0.450303
H 0.009890 1.175309 -0.817992
H 3.433253 4.821495 -1.193981
H -0.319777 3.041317 -2.474001
H 1.396829 4.868851 -2.666094


