%chk=000231579.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000231579

0 1
N 1.452376 0.589479 -0.105134
N 4.086049 1.916789 -0.082670
C 2.707649 -0.206182 -0.357569
C 3.902606 0.502966 0.361311
C 2.566953 -1.625849 0.231907
C 5.203453 -0.284454 0.112900
C 3.855211 -2.430134 0.021639
C 5.069152 -1.719431 0.636573
C 1.612069 2.003060 -0.587622
C 2.815820 2.669231 0.109241
C 0.247389 -0.030922 -0.753301
C -1.012341 0.422046 0.005069
C -2.268347 -0.257161 -0.553246
C -3.527286 0.195092 0.199288
C -4.787226 -0.483505 -0.354983
C -6.045036 -0.030478 0.398232
C -7.306776 -0.708021 -0.154841
C -8.561668 -0.260606 0.591621
H 2.929391 -0.283754 -1.451317
H 3.688567 0.530681 1.462691
H 2.325183 -1.556143 1.311206
H 1.708358 -2.151281 -0.231741
H 5.456627 -0.293945 -0.963115
H 6.045047 0.230417 0.617024
H 3.743546 -3.436015 0.468537
H 4.025382 -2.594356 -1.059672
H 5.991837 -2.287608 0.415364
H 4.975768 -1.707305 1.740216
H 0.682420 2.554189 -0.324079
H 1.722871 2.071682 -1.690696
H 4.363834 1.948738 -1.069513
H 2.622633 2.744683 1.204035
H 2.952037 3.705192 -0.263086
H 0.329492 -1.141055 -0.693997
H 0.160577 0.215412 -1.832534
H -1.115626 1.522769 -0.048168
H -0.892418 0.191480 1.083063
H -2.374380 -0.031042 -1.631668
H -2.166029 -1.357416 -0.483344
H -3.631626 1.295172 0.132084
H -3.421466 -0.031017 1.278149
H -4.892918 -0.257880 -1.433560
H -4.683385 -1.583523 -0.285852
H -5.941063 -0.255901 1.477031
H -6.150308 1.069365 0.331073
H -7.203730 -1.808650 -0.085769
H -7.413336 -0.481537 -1.233749
H -8.714739 0.821596 0.511426
H -8.505048 -0.504580 1.658572
H -9.456547 -0.749190 0.190476


%chk=000231579-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000231579

0 1
N 1.504362 0.598307 -0.185088
N 4.138075 1.901273 -0.084844
C 2.745687 -0.224640 -0.360478
C 3.941627 0.496535 0.348727
C 2.609398 -1.650265 0.230765
C 5.252133 -0.297057 0.176412
C 3.918991 -2.460779 0.074583
C 5.119872 -1.735470 0.722355
C 1.696357 1.989110 -0.676695
C 2.881234 2.677772 0.031398
C 0.259020 0.016048 -0.757075
C -1.011273 0.457285 0.003859
C -2.299186 -0.153616 -0.593115
C -3.572075 0.211966 0.203220
C -4.859600 -0.410060 -0.383100
C -6.130542 -0.068738 0.426980
C -7.416145 -0.697625 -0.157426
C -8.680306 -0.359905 0.662309
H 3.010443 -0.316317 -1.452390
H 3.682736 0.528758 1.428447
H 2.343704 -1.556166 1.303248
H 1.789842 -2.210799 -0.255021
H 5.520773 -0.333896 -0.902022
H 6.061744 0.251750 0.692464
H 3.788661 -3.465422 0.521466
H 4.125570 -2.615953 -1.004905
H 6.054856 -2.300562 0.542936
H 4.974040 -1.695551 1.821194
H 0.767256 2.560087 -0.492375
H 1.878667 1.999565 -1.786362
H 4.512134 1.934868 -1.047112
H 2.643290 2.784021 1.106836
H 3.038483 3.690296 -0.384591
H 0.314196 -1.084314 -0.706042
H 0.152576 0.277122 -1.841977
H -1.097194 1.562476 0.002446
H -0.901513 0.152802 1.062818
H -2.416560 0.180082 -1.645775
H -2.199570 -1.259447 -0.628162
H -3.680124 1.316384 0.237448
H -3.451376 -0.120248 1.255527
H -4.989038 -0.066297 -1.430958
H -4.743101 -1.513380 -0.431172
H -6.000820 -0.411545 1.475091
H -6.251999 1.033927 0.474488
H -7.290839 -1.798713 -0.208990
H -7.547901 -0.351228 -1.203025
H -8.844483 0.733570 0.704873
H -8.586496 -0.724326 1.702923
H -9.584589 -0.820585 0.223388


