%chk=000180549.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000180549

0 1
Cl -6.914178 1.674450 2.212492
N 2.942423 3.483265 0.537800
N 2.925843 0.164203 -1.624435
N -0.879314 -0.796617 -0.000620
N -1.373200 1.543473 0.110855
C 3.859139 2.298064 0.639979
C 4.483005 1.921213 -0.714154
C 3.439736 1.544508 -1.777090
C 2.306910 3.790444 1.868298
C 3.663244 4.704307 0.034633
C 1.705113 -0.129190 -1.030482
C 1.346741 -1.537211 -0.830321
C 0.030355 -1.809291 -0.308684
C 2.195895 -2.609249 -1.115161
C 1.795666 -3.937968 -0.901160
C 0.797138 0.855278 -0.683690
C 0.486602 -4.203509 -0.381592
C -0.374708 -3.139261 -0.093481
C 1.497048 2.618848 2.417436
C 2.655898 5.700598 -0.541350
C -0.498500 0.478846 -0.188322
C 2.669583 -5.049416 -1.192871
C 0.092402 -5.578979 -0.168675
C 2.261026 -6.331776 -0.978432
C 0.947484 -6.599570 -0.456417
C -2.703174 1.494651 0.612470
C -3.338553 2.746845 0.803886
C -3.390682 0.304632 0.921263
C -4.640064 2.800667 1.298008
C -4.692267 0.364136 1.415288
C -5.301344 1.608152 1.598652
H 4.669191 2.447067 1.386303
H 3.243439 1.439539 0.997947
H 5.201675 1.093926 -0.559016
H 5.084633 2.772727 -1.100103
H 3.887182 1.620089 -2.794704
H 2.591560 2.275566 -1.743809
H 1.624371 4.655639 1.700416
H 3.052833 4.115975 2.627018
H 4.370515 4.399017 -0.770764
H 4.280072 5.193976 0.819072
H 3.621750 -0.572880 -1.699864
H 3.194179 -2.424469 -1.515349
H 1.067955 1.909098 -0.768231
H -1.374737 -3.324624 0.301049
H 0.907865 2.127131 1.630910
H 2.130210 1.848074 2.870279
H 0.794323 2.956413 3.187845
H 1.986387 5.212056 -1.261322
H 2.021553 6.140091 0.236875
H 3.165703 6.520309 -1.058156
H 3.660388 -4.832933 -1.588817
H -0.905080 -5.767489 0.226170
H -1.003313 2.480027 -0.077984
H 2.910370 -7.177529 -1.194843
H 0.659900 -7.638619 -0.299982
H -2.820948 3.673502 0.567699
H -2.912664 -0.672160 0.775577
H -5.134567 3.760473 1.447064
H -5.229310 -0.554334 1.655699


%chk=000180549-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000180549

0 1
Cl -6.922039 2.016515 2.101866
N 2.777750 3.467436 0.519704
N 3.188212 0.051686 -1.267293
N -0.815238 -0.826942 0.001113
N -1.185426 1.521396 0.204735
C 3.915147 2.512164 0.690068
C 4.610136 2.062826 -0.612965
C 3.695327 1.375796 -1.658934
C 2.199312 3.838768 1.851608
C 3.167237 4.693173 -0.239408
C 1.894732 -0.228883 -0.845427
C 1.447315 -1.625070 -0.754085
C 0.073613 -1.854885 -0.311267
C 2.261481 -2.731830 -1.068997
C 1.793188 -4.069543 -0.956941
C 0.987225 0.778871 -0.505794
C 0.427733 -4.299033 -0.507288
C -0.392536 -3.184529 -0.199736
C 1.716482 2.652037 2.706794
C 1.971867 5.585628 -0.626462
C -0.352036 0.432594 -0.102532
C 2.622319 -5.200777 -1.275347
C -0.043281 -5.655644 -0.395148
C 2.134286 -6.500490 -1.156062
C 0.786774 -6.728590 -0.710672
C -2.525940 1.569241 0.646175
C -3.094433 2.858488 0.863435
C -3.325282 0.414637 0.880946
C -4.424534 3.000917 1.303863
C -4.657430 0.558116 1.322596
C -5.193267 1.842485 1.529385
H 4.697131 2.945968 1.366645
H 3.517481 1.611910 1.190875
H 5.415498 1.357416 -0.326096
H 5.117648 2.915699 -1.105408
H 4.272547 1.254863 -2.597585
H 2.835653 2.026631 -1.894128
H 1.339131 4.506479 1.666171
H 2.945809 4.433618 2.441480
H 3.664547 4.373054 -1.171330
H 3.916526 5.298839 0.334243
H 3.808332 -0.738002 -1.438281
H 3.293288 -2.597482 -1.420932
H 1.310217 1.826890 -0.467224
H -1.424918 -3.331819 0.134183
H 1.046518 1.987523 2.134459
H 2.550183 2.043827 3.097859
H 1.154411 3.035750 3.577694
H 1.192938 4.984715 -1.130881
H 1.515122 6.089864 0.242656
H 2.303687 6.374313 -1.326088
H 3.650689 -5.024765 -1.614923
H -1.071428 -5.829005 -0.056084
H -0.741801 2.432824 0.074421
H 2.773387 -7.356042 -1.400438
H 0.417095 -7.756180 -0.621588
H -2.493130 3.759820 0.685656
H -2.881509 -0.567147 0.708342
H -4.852458 3.994261 1.467394
H -5.270584 -0.330179 1.502082


