%chk=000217606.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000217606

0 1
Cl -5.433864 -4.451871 -0.006004
O -3.952232 1.182937 0.682542
O 1.777977 0.693623 -1.229610
O -0.935518 -2.332784 -0.499545
N -2.299449 -0.598895 -1.241861
N 1.214800 -1.412924 -1.889955
N -0.095992 -1.007458 -2.200924
C 5.760266 -0.553316 -0.025593
C 6.784895 0.553912 0.257190
C 4.441841 0.033074 -0.542275
C 8.106928 -0.026474 0.776408
C 3.415695 -1.070920 -0.832733
C 9.132940 1.080064 1.059282
C -2.287754 0.835910 -1.643569
C -1.848832 1.682608 -0.485276
C -3.408159 -1.024475 -0.428372
C 2.101530 -0.479786 -1.272732
C -2.682879 1.768210 0.639913
C -4.135777 -0.174833 0.435642
C 10.451050 0.508614 1.576608
C -1.089397 -1.343853 -1.192160
C -0.633224 2.376185 -0.459550
C -3.823833 -2.367942 -0.546335
C -2.366584 2.551759 1.755788
C -5.269634 -0.641027 1.130678
C -0.297035 3.164411 0.645779
C -4.939472 -2.809366 0.157622
C -1.162229 3.258993 1.742400
C -5.679021 -1.961932 0.992112
H 5.580410 -1.140631 0.895943
H 6.174898 -1.267544 -0.763234
H 6.372715 1.269570 0.995068
H 6.967988 1.142653 -0.662702
H 4.020205 0.748100 0.194605
H 4.617648 0.630123 -1.459841
H 7.927066 -0.613877 1.697346
H 8.521782 -0.741850 0.040519
H 3.816432 -1.765997 -1.601427
H 3.254821 -1.689015 0.078056
H 8.721029 1.795865 1.797504
H 9.316578 1.667875 0.138561
H -1.646257 0.977536 -2.541776
H -3.321473 1.120942 -1.966101
H 10.906906 -0.176007 0.852338
H 11.176741 1.305250 1.775753
H 10.311575 -0.048072 2.510302
H 0.069879 2.290856 -1.293287
H -3.257087 -3.058096 -1.180503
H 1.280518 -2.425138 -1.712200
H -0.103937 -0.032683 -2.560470
H -3.049861 2.597796 2.601332
H -5.807856 0.053607 1.778286
H 0.651616 3.700315 0.653818
H -0.891719 3.878880 2.597592
H -6.552657 -2.333997 1.528245


%chk=000217606-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000217606

0 1
Cl -5.080382 -4.902332 -1.427897
O -4.637157 0.857083 0.320208
O 2.142216 1.344822 0.165998
O -0.851799 -2.366183 -0.189609
N -2.209940 -0.535330 -0.866041
N 1.313185 -0.791396 0.007573
N 0.068632 -0.249618 -0.355994
C 6.217161 -0.425211 0.556976
C 7.437326 0.212513 -0.144959
C 4.870946 0.084510 -0.001590
C 8.791010 -0.292089 0.403700
C 3.654218 -0.541084 0.723057
C 10.010360 0.359473 -0.287831
C -2.248377 0.850651 -1.409652
C -2.439780 1.878619 -0.313796
C -3.470573 -1.188372 -0.686042
C 2.340133 0.087103 0.281120
C -3.587259 1.786969 0.513194
C -4.594437 -0.472109 -0.173285
C 11.359501 -0.153195 0.260769
C -1.005486 -1.128230 -0.447232
C -1.504176 2.909229 -0.062312
C -3.639231 -2.545896 -1.066599
C -3.816149 2.721069 1.546044
C -5.855775 -1.107518 -0.090203
C -1.713553 3.844808 0.975568
C -4.895516 -3.154398 -0.943064
C -2.875713 3.748624 1.775354
C -6.021650 -2.451631 -0.470191
H 6.268212 -0.210167 1.645219
H 6.271432 -1.529582 0.454610
H 7.385450 1.315834 -0.035018
H 7.383962 0.006359 -1.234470
H 4.807104 1.184242 0.100070
H 4.808446 -0.137064 -1.085758
H 8.842225 -0.095209 1.495225
H 8.849054 -1.394492 0.284054
H 3.633454 -1.638202 0.572971
H 3.760298 -0.365169 1.812744
H 9.953266 1.460291 -0.163687
H 9.955759 0.167058 -1.378938
H -1.324252 1.040252 -1.982218
H -3.087053 0.885466 -2.128459
H 11.454859 -1.246541 0.119593
H 12.214384 0.328922 -0.248221
H 11.450793 0.053337 1.343993
H -0.608918 2.990108 -0.693165
H -2.773831 -3.098882 -1.434580
H 1.302946 -1.808327 0.137660
H 0.040102 0.769405 -0.233472
H -4.722069 2.626409 2.151713
H -6.694908 -0.527388 0.303397
H -0.976991 4.632812 1.159460
H -3.050107 4.468053 2.582316
H -6.996353 -2.939503 -0.389104


