%chk=000200420.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000200420

0 1
Cl -1.462581 4.088440 -3.056869
O -2.979603 -0.362181 0.323376
O 5.514729 -1.919878 -0.894474
N 0.179861 0.702395 1.427614
N -0.883538 -0.178596 1.513498
N -4.630158 -3.036155 -0.245896
C 0.019845 1.587035 0.356731
C -1.271813 1.314733 -0.218948
C 1.409312 0.434342 2.204375
C -1.774004 0.197540 0.552869
C 2.477495 -0.218623 1.365601
C 0.841103 2.627656 -0.141852
C -1.752775 2.090538 -1.285657
C -3.344217 -1.500786 1.195710
C -4.740286 -1.872687 0.693950
C 0.353918 3.375056 -1.193106
C -0.928560 3.100016 -1.744798
C 3.691413 0.448051 1.120115
C 2.264431 -1.497266 0.833688
C 4.686405 -0.154738 0.360809
C 3.247084 -2.123693 0.063335
C 4.450441 -1.443536 -0.164508
C -4.136907 -2.591813 -1.583493
C -5.947493 -3.726260 -0.381630
C 5.388630 -3.228181 -1.503273
H 1.145124 -0.223844 3.071591
H 1.757585 1.402648 2.635092
H 1.820429 2.811093 0.289917
H -2.592779 -2.298801 1.056705
H -3.338461 -1.144098 2.238144
H -2.733067 1.891245 -1.717707
H -5.370718 -2.164104 1.562472
H -5.219692 -0.974837 0.238689
H 0.946583 4.186813 -1.619447
H 3.860044 1.444384 1.529012
H 1.315498 -2.008269 1.017889
H 5.634087 0.339527 0.160033
H 3.065775 -3.112397 -0.344371
H -3.228163 -1.976157 -1.455923
H -4.856993 -2.004820 -2.171335
H -3.853253 -3.483282 -2.164417
H -6.764952 -3.098737 -0.765015
H -5.828928 -4.586962 -1.060252
H -6.245231 -4.130701 0.598850
H 4.566649 -3.234051 -2.224916
H 6.357238 -3.332828 -2.009872
H 5.263892 -3.995032 -0.733609


%chk=000200420-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000200420

0 1
Cl -1.443989 3.987799 -3.343594
O -3.101580 -0.431025 0.238714
O 6.118715 -1.733151 -0.508373
N 0.190073 0.447028 1.179346
N -0.963728 -0.349953 1.349334
N -5.058393 -2.913348 -0.214488
C 0.031827 1.359112 0.144529
C -1.289780 1.161273 -0.385471
C 1.343428 0.234359 2.059991
C -1.837377 0.090075 0.408124
C 2.583802 -0.291892 1.342103
C 0.903728 2.342130 -0.388073
C -1.767876 1.956036 -1.457540
C -3.479333 -1.522989 1.183221
C -4.920832 -1.943278 0.895850
C 0.423947 3.127078 -1.451044
C -0.891596 2.924292 -1.960849
C 3.858853 0.272850 1.599629
C 2.494835 -1.371904 0.433368
C 5.015823 -0.228257 0.973921
C 3.642735 -1.884714 -0.208813
C 4.910322 -1.310497 0.065367
C -4.817585 -2.325990 -1.551567
C -6.347016 -3.634545 -0.163130
C 6.064792 -2.844704 -1.461473
H 0.992280 -0.485493 2.820306
H 1.587669 1.178535 2.585081
H 1.918904 2.481962 -0.006601
H -2.786101 -2.373615 1.050722
H -3.373816 -1.128635 2.212040
H -2.771559 1.816842 -1.866565
H -5.297881 -2.438794 1.811613
H -5.539273 -1.020908 0.746779
H 1.059695 3.896681 -1.898587
H 3.950842 1.113654 2.298992
H 1.514710 -1.813727 0.218374
H 6.003552 0.201416 1.166097
H 3.539842 -2.719171 -0.908775
H -3.834792 -1.831049 -1.575490
H -5.588951 -1.565756 -1.836525
H -4.829261 -3.129894 -2.309562
H -7.238144 -2.971201 -0.308672
H -6.367946 -4.403458 -0.956168
H -6.455334 -4.146221 0.810390
H 5.437102 -2.593610 -2.338559
H 7.105558 -2.997696 -1.782192
H 5.682508 -3.767450 -0.983083


