%chk=000200412.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000200412

0 1
Cl 9.083028 -1.966387 0.077886
O -4.121394 0.448574 0.407902
N 1.020337 1.610078 -0.224500
N 3.674246 0.482615 0.056094
C 1.245007 0.331872 0.526723
C 2.224574 2.491129 -0.070744
C 2.469670 -0.397410 -0.060015
C 3.455934 1.775961 -0.663212
C -0.217701 2.311249 0.253354
C -1.449452 1.603303 -0.335295
C 4.953194 -0.122738 -0.034417
C -2.743230 2.325672 0.054946
C -3.978125 1.604428 -0.479476
C 5.124980 -1.493221 0.286330
C 6.101419 0.657279 -0.322967
C 6.396093 -2.058168 0.325205
C 7.371807 0.090234 -0.283518
C 7.507418 -1.262382 0.037090
C -5.216022 -0.361365 0.091715
C -5.039299 -1.432740 -0.805753
C -6.435317 -0.139016 0.761930
C -6.126018 -2.288819 -1.036710
C -7.500316 -1.015232 0.507812
C -3.732210 -1.659924 -1.487258
C -6.588510 0.991280 1.722923
C -7.344415 -2.076790 -0.386971
H 0.344561 -0.309560 0.402822
H 1.387802 0.489753 1.618482
H 2.426018 2.772296 0.986155
H 2.046816 3.430360 -0.637690
H 2.274133 -0.675406 -1.120386
H 2.639568 -1.340153 0.508014
H 4.350378 2.427847 -0.540212
H 3.308670 1.610690 -1.754687
H -0.190725 3.362508 -0.108300
H -0.291243 2.359230 1.360924
H -1.497789 0.552246 0.018392
H -1.350305 1.544179 -1.437281
H -2.818829 2.388025 1.161757
H -2.735982 3.368109 -0.317017
H -3.860367 1.242611 -1.513973
H -4.891155 2.217990 -0.398335
H 4.260174 -2.112988 0.520342
H 5.998639 1.714359 -0.564649
H 6.523577 -3.111701 0.576599
H 8.252366 0.695271 -0.502232
H -6.016530 -3.124386 -1.724788
H -8.452271 -0.866863 1.013095
H -3.785290 -1.396494 -2.552170
H -2.929642 -1.056417 -1.032642
H -3.419806 -2.711099 -1.423021
H -7.050802 0.662737 2.663758
H -5.612844 1.434329 1.981613
H -7.218289 1.788276 1.306014
H -8.180428 -2.748532 -0.576954


%chk=000200412-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000200412

0 1
Cl 9.320096 -1.923497 0.320870
O -4.111190 0.356227 0.296100
N 1.069577 1.599871 -0.334271
N 3.740525 0.505235 0.013662
C 1.293578 0.360997 0.447735
C 2.244007 2.490243 -0.172486
C 2.557921 -0.377653 -0.026723
C 3.517843 1.796414 -0.680008
C -0.201984 2.287206 0.008542
C -1.456666 1.510850 -0.437842
C 5.035387 -0.064244 0.046725
C -2.749414 2.314925 -0.177395
C -4.020536 1.557831 -0.570570
C 5.236129 -1.479175 0.000335
C 6.199621 0.757970 0.170329
C 6.526738 -2.042984 0.091042
C 7.489623 0.199943 0.251173
C 7.643536 -1.199396 0.214437
C -5.287478 -0.426268 0.102055
C -5.263644 -1.486620 -0.844836
C -6.421955 -0.160125 0.917550
C -6.425480 -2.288298 -0.972142
C -7.562026 -0.986115 0.758474
C -4.027727 -1.756413 -1.683865
C -6.400300 0.967405 1.932966
C -7.569639 -2.038794 -0.183188
H 0.430899 -0.315556 0.322012
H 1.396179 0.588848 1.540579
H 2.391651 2.787638 0.898016
H 2.078265 3.409737 -0.764262
H 2.385806 -0.773610 -1.054370
H 2.722141 -1.232906 0.651329
H 4.375605 2.466959 -0.518230
H 3.418100 1.627196 -1.776305
H -0.190534 3.269676 -0.504662
H -0.270891 2.498546 1.108760
H -1.537609 0.548092 0.098767
H -1.362724 1.279431 -1.517225
H -2.817839 2.581558 0.895957
H -2.725452 3.266278 -0.748033
H -3.987306 1.241797 -1.634655
H -4.922333 2.186121 -0.418978
H 4.390554 -2.158888 -0.130849
H 6.107673 1.845971 0.233319
H 6.654010 -3.129051 0.049457
H 8.363315 0.850510 0.353866
H -6.424826 -3.116174 -1.691522
H -8.444417 -0.803062 1.383614
H -4.032074 -1.158357 -2.616604
H -3.111332 -1.491647 -1.129933
H -3.974121 -2.819067 -1.977329
H -7.133525 0.788526 2.738213
H -5.396687 1.074101 2.378293
H -6.654895 1.939418 1.465892
H -8.458072 -2.670920 -0.291081


