%chk=000185159.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000185159

0 1
Cl -2.528948 -0.747705 3.017762
N -2.733514 -0.553434 -1.686240
N 1.856513 2.802934 -0.383890
C -0.127250 -1.415373 -0.237974
C -0.415245 -0.120424 -1.065092
C 1.374125 -1.884634 -0.318525
C -1.890797 0.351237 -0.918841
C -2.413373 0.449319 0.561496
C -0.576024 -1.213024 1.219693
C -2.061523 -0.877833 1.274604
C 0.570892 0.947406 -0.735562
C 2.312383 -0.753489 0.084249
C 1.841625 0.544911 -0.191129
C 1.706663 -2.255477 -1.779027
C 1.584932 -3.124501 0.564899
C -1.762007 1.644289 1.270761
C -3.919320 0.659155 0.571315
C 2.629410 1.708516 0.034773
C 0.604656 2.325143 -0.857605
C 3.583657 -0.857737 0.621201
C 3.925474 1.588084 0.583620
C 4.366589 0.306578 0.868303
C -4.540047 1.653046 -0.059930
C -3.415685 -1.281042 -2.297933
H -0.742698 -2.234225 -0.686727
H -0.255334 -0.380349 -2.150466
H -1.984753 1.372620 -1.382894
H -0.375376 -2.121239 1.823055
H 0.025715 -0.406972 1.693473
H -2.675339 -1.714785 0.864026
H 2.741213 -2.606348 -1.871202
H 1.055641 -3.052140 -2.151838
H 1.604137 -1.393954 -2.449326
H 2.572789 -3.569557 0.398019
H 1.519098 -2.880861 1.631933
H 0.843827 -3.902515 0.352223
H -0.693821 1.470974 1.462850
H -1.852515 2.565894 0.688217
H -2.236293 1.835192 2.243440
H -4.483532 -0.063672 1.165928
H -0.136451 3.005648 -1.232335
H 4.011259 -1.827694 0.859793
H 2.132076 3.763515 -0.360033
H 4.540719 2.460041 0.769686
H 5.360140 0.167662 1.296438
H -5.612591 1.788513 -0.025922
H -4.042000 2.402909 -0.655465


%chk=000185159-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000185159

0 1
Cl -2.716423 -0.747264 3.020446
N -2.670696 -0.607530 -1.775588
N 1.970063 2.786895 -0.554663
C -0.106384 -1.409201 -0.237532
C -0.374626 -0.131623 -1.117292
C 1.403041 -1.897372 -0.273493
C -1.870346 0.332196 -1.009907
C -2.460809 0.492197 0.467155
C -0.622504 -1.192008 1.211604
C -2.109885 -0.829492 1.207137
C 0.650553 0.939873 -0.815668
C 2.335949 -0.745072 0.135145
C 1.902203 0.553609 -0.218621
C 1.759946 -2.304547 -1.739810
C 1.589701 -3.146810 0.625997
C -1.836917 1.729246 1.151904
C -3.982773 0.624555 0.356463
C 2.714382 1.713194 -0.045044
C 0.724655 2.316648 -1.024424
C 3.610460 -0.843940 0.725414
C 3.999370 1.612453 0.537808
C 4.418229 0.320469 0.925865
C -4.721479 1.733371 0.597340
C -3.302403 -1.404758 -2.419434
H -0.700411 -2.234908 -0.684422
H -0.253735 -0.434007 -2.178119
H -1.979831 1.318746 -1.500833
H -0.501549 -2.122394 1.790462
H -0.032595 -0.412390 1.725394
H -2.710669 -1.659551 0.794594
H 2.792894 -2.693721 -1.785213
H 1.074726 -3.095470 -2.100661
H 1.700519 -1.447610 -2.432953
H 2.580036 -3.604705 0.450302
H 1.521904 -2.904985 1.700666
H 0.826745 -3.912787 0.391605
H -0.754010 1.622223 1.305800
H -1.996336 2.636381 0.541448
H -2.316244 1.881786 2.133120
H -4.501844 -0.290977 0.037064
H 0.003041 3.012478 -1.448888
H 4.007527 -1.817192 1.033482
H 2.266143 3.760255 -0.569200
H 4.648707 2.481750 0.687009
H 5.405159 0.202558 1.387866
H -5.810552 1.714828 0.479702
H -4.283839 2.679209 0.934773


