%chk=000188945.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000188945

0 1
Cl 4.971150 3.663698 -0.063084
F -1.423419 -4.428788 0.131137
N -3.847220 -0.430790 0.685054
N -1.159319 0.567621 -0.587982
N 2.756923 -0.889272 0.158411
C -1.566010 1.774367 -1.363819
C -3.101596 1.773034 -1.521394
C -3.859810 1.907804 -0.193607
C -4.712699 0.669277 0.139896
C -0.893146 1.779924 -2.741802
C 0.125769 0.161065 -0.311168
C -3.572502 -0.204087 2.147228
C -4.469264 -1.778099 0.449562
C 1.257710 1.034948 -0.220647
C 0.335799 -1.249688 -0.067729
C 2.556953 0.441640 -0.026602
C 1.666689 -1.713089 0.167843
C -2.393262 -1.052615 2.616896
C -4.267459 -2.197328 -1.006614
C 1.187432 2.467031 -0.247935
C -0.724309 -2.213941 -0.088843
C 3.735159 1.284035 -0.002744
C 1.912992 -3.120426 0.412796
C 2.301885 3.256453 -0.190606
C -0.433657 -3.528717 0.145042
C 3.583460 2.632387 -0.089334
C 0.886368 -4.016607 0.405432
H -1.250106 2.693441 -0.789015
H -3.383180 2.605686 -2.195981
H -3.419990 0.852751 -2.053799
H -4.524323 2.792750 -0.236747
H -3.154929 2.110381 0.639213
H -5.524880 0.957410 0.842649
H -5.223183 0.311404 -0.781531
H -1.937466 -0.097920 -0.388414
H -1.180331 0.909705 -3.344265
H -1.153600 2.677772 -3.312220
H 0.203254 1.755875 -2.662328
H -4.463713 -0.407860 2.780205
H -3.321751 0.872243 2.288350
H -5.548134 -1.805523 0.712984
H -3.966193 -2.519007 1.114816
H -2.209333 -0.909920 3.687513
H -1.467795 -0.787589 2.086880
H -2.558148 -2.124597 2.448329
H -4.627649 -3.219397 -1.172317
H -3.200039 -2.177954 -1.277360
H -4.794100 -1.539654 -1.706135
H 0.201134 2.945021 -0.292171
H -1.754295 -1.888891 -0.289839
H 4.708276 0.797895 0.095562
H 2.946728 -3.421694 0.599937
H 2.239362 4.342135 -0.210109
H 1.045467 -5.079499 0.587109


%chk=000188945-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000188945

0 1
Cl 5.069879 3.638809 0.555138
F -1.546529 -4.470055 -0.548803
N -3.655785 -0.422108 0.632176
N -1.194594 0.638114 -0.607055
N 2.720135 -0.954177 0.300252
C -1.612121 1.801119 -1.433271
C -3.136149 1.705635 -1.705284
C -4.058002 1.854960 -0.461108
C -4.660468 0.527791 0.053464
C -0.832003 1.858836 -2.767752
C 0.092037 0.183482 -0.340509
C -3.283848 0.038334 2.017072
C -4.172458 -1.834087 0.664918
C 1.248524 1.028918 -0.135281
C 0.298933 -1.248531 -0.219190
C 2.535421 0.394385 0.154709
C 1.618554 -1.753029 0.130472
C -2.196613 -0.797199 2.715650
C -4.580938 -2.402219 -0.707389
C 1.206341 2.466883 -0.129669
C -0.748750 -2.196760 -0.466912
C 3.704055 1.217600 0.346737
C 1.806946 -3.172558 0.290789
C 2.340943 3.246790 0.083809
C -0.497989 -3.548483 -0.301479
C 3.592231 2.595300 0.304268
C 0.765775 -4.073814 0.088913
H -1.459474 2.756542 -0.885846
H -3.371412 2.508623 -2.429017
H -3.347344 0.747098 -2.222142
H -4.914102 2.508324 -0.720123
H -3.515277 2.379942 0.349223
H -5.456760 0.747273 0.806134
H -5.154102 0.032664 -0.800086
H -1.999573 0.044047 -0.284582
H -1.049490 0.960153 -3.373251
H -1.131390 2.752145 -3.345819
H 0.257690 1.907841 -2.608038
H -4.199697 0.065705 2.658013
H -2.923285 1.079023 1.928347
H -5.036626 -1.911682 1.370018
H -3.365135 -2.463875 1.074696
H -1.900683 -0.293147 3.653538
H -1.296226 -0.895696 2.086909
H -2.544710 -1.809669 2.983107
H -4.687712 -3.498446 -0.629043
H -3.809395 -2.200547 -1.472183
H -5.542399 -2.000985 -1.072759
H 0.258937 2.985307 -0.280136
H -1.737395 -1.873478 -0.797005
H 4.650187 0.706332 0.539069
H 2.809262 -3.507412 0.572335
H 2.281513 4.338460 0.087838
H 0.896772 -5.153677 0.202839


