%chk=000211958.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000211958

0 1
Cl -5.435805 3.022702 0.803637
O 0.271652 -0.631532 1.842203
O 0.783873 -0.953094 -2.423223
O 5.761681 -0.993457 -2.898119
O 4.979504 -0.241676 1.819335
O 6.796792 -0.509243 -0.234152
N -3.974456 0.534303 0.126200
N -1.128416 0.163066 0.240250
C -3.265663 0.590492 1.448842
C -3.308310 -0.432524 -0.804607
C -1.814678 1.057618 1.215144
C -1.861378 0.049182 -1.045177
C -5.400587 0.354054 0.261460
C -0.172115 -0.735717 0.703368
C 0.367492 -1.787236 -0.246259
C -6.183336 1.491778 0.553532
C -6.062088 -0.870016 0.049912
C 1.253935 -1.198371 -1.333922
C -7.574725 1.418130 0.635565
C -7.454925 -0.943675 0.122710
C 2.698399 -0.986415 -1.005332
C -8.212598 0.193754 0.417129
C 3.106629 -0.715910 0.308753
C 3.620850 -1.058637 -2.043987
C 4.994609 -0.862610 -1.772308
C 4.463353 -0.519866 0.576068
C 5.434365 -0.590276 -0.461472
C 7.195686 -0.793179 -2.789688
C 4.043797 -0.123282 2.924731
C 7.231814 0.667222 0.502165
H -3.276835 -0.388663 1.974919
H -3.784489 1.319258 2.109943
H -3.862042 -0.426991 -1.770286
H -3.307938 -1.476575 -0.425906
H -1.803946 2.092738 0.802104
H -1.252377 1.070925 2.178200
H -1.873628 1.061619 -1.519535
H -1.334816 -0.620642 -1.762100
H -0.458703 -2.363814 -0.713053
H 0.938589 -2.534047 0.353935
H -5.491505 -1.770800 -0.167689
H -8.157556 2.312359 0.861084
H -7.953044 -1.898105 -0.047571
H -9.297841 0.129763 0.474905
H 2.371137 -0.658042 1.115646
H 3.306488 -1.248695 -3.072692
H 7.621198 -1.495120 -2.062410
H 7.406865 0.240474 -2.503400
H 7.525777 -1.012084 -3.811541
H 3.346951 0.702022 2.748724
H 3.514636 -1.069411 3.077982
H 4.718531 0.092694 3.761693
H 8.321206 0.564167 0.464306
H 6.891134 1.576918 0.004552
H 6.864355 0.614666 1.535234


%chk=000211958-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000211958

0 1
Cl -4.807607 3.251207 0.662442
O 0.484881 -0.722284 2.170498
O 0.791351 -2.099991 -2.110697
O 5.552839 -0.746611 -3.003673
O 5.111751 -0.326528 1.872458
O 6.724428 -0.145764 -0.417666
N -3.909086 0.269625 0.209183
N -1.137667 -0.382864 0.538111
C -3.224715 0.518534 1.506537
C -3.334869 -0.886847 -0.509496
C -1.721485 0.758963 1.280417
C -1.823552 -0.662277 -0.741460
C -5.303065 0.510460 0.103363
C -0.060703 -1.069946 1.068984
C 0.472171 -2.292534 0.290854
C -5.877111 1.799987 0.317447
C -6.213579 -0.523097 -0.275627
C 1.308926 -1.942976 -0.961406
C -7.256235 2.045666 0.206752
C -7.595745 -0.285075 -0.417184
C 2.700873 -1.445894 -0.780492
C -8.129980 0.997226 -0.162969
C 3.209827 -1.123290 0.507454
C 3.516982 -1.282903 -1.923135
C 4.839779 -0.807089 -1.801461
C 4.525992 -0.644637 0.636446
C 5.368485 -0.483695 -0.512260
C 6.621894 0.249225 -3.201131
C 4.295888 -0.546702 3.076659
C 7.095473 1.090391 0.309030
H -3.358165 -0.358855 2.180951
H -3.665528 1.399035 1.996649
H -3.829272 -0.985985 -1.491407
H -3.479261 -1.840733 0.053392
H -1.584630 1.685950 0.690859
H -1.184274 0.850316 2.237537
H -1.695164 0.215115 -1.405799
H -1.373624 -1.526826 -1.251553
H -0.354926 -2.938940 -0.045532
H 1.083565 -2.856560 1.013121
H -5.825747 -1.533320 -0.439883
H -7.636972 3.056770 0.379449
H -8.256532 -1.108305 -0.709812
H -9.202684 1.190533 -0.260393
H 2.569257 -1.217705 1.388367
H 3.122762 -1.517094 -2.915444
H 7.539027 -0.040915 -2.666006
H 6.297555 1.253423 -2.866509
H 6.788269 0.256360 -4.289885
H 3.367300 0.053216 3.051948
H 4.038344 -1.616793 3.187117
H 4.934347 -0.226240 3.912815
H 8.191876 1.143870 0.230666
H 6.636620 1.971763 -0.180274
H 6.779215 1.031842 1.361452


