%chk=000216685.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000216685

0 1
Cl 6.094307 3.609456 0.188355
O -2.793107 -0.508668 2.143728
O -2.701899 0.522983 -2.504573
N 1.440574 -2.564623 -0.206058
N 3.863930 -1.017062 0.066844
C -3.310520 -0.273324 -0.253608
C 1.549436 -1.195592 -0.805793
C 2.784670 -3.230316 -0.235382
C 2.525012 -0.353541 0.038486
C 3.769981 -2.403679 0.616552
C -3.313426 -1.781889 -0.591580
C -2.528790 -0.032635 1.073133
C -2.488374 0.505885 -1.321880
C -4.742043 0.216844 -0.167994
C -1.392877 0.891878 0.765352
C -1.374193 1.207422 -0.612174
C 0.426989 -3.406124 -0.933901
C 5.001770 -0.239923 0.368741
C -0.450193 1.420697 1.632121
C -0.417101 2.061699 -1.136115
C -5.399210 0.693858 -1.312910
C -5.444365 0.147533 1.045351
C -1.990307 -2.337767 -0.708028
C -0.890487 -2.822891 -0.813990
C 0.523832 2.289973 1.102354
C 0.539032 2.606087 -0.256457
C 4.973647 1.167913 0.206032
C 6.227995 -0.857854 0.731282
C -6.725643 1.125725 -1.235734
C -6.770675 0.580432 1.117839
C -7.414261 1.075395 -0.020198
C 6.148280 1.885843 0.394950
C 7.377844 -0.096031 0.909286
C 7.359543 1.295638 0.746778
H 0.543779 -0.717370 -0.776817
H 1.877477 -1.209500 -1.867855
H 3.188691 -3.355153 -1.263975
H 2.686944 -4.243988 0.210204
H 2.615599 0.660792 -0.413728
H 2.119627 -0.225490 1.068671
H 3.431037 -2.389462 1.678037
H 4.772633 -2.887854 0.590363
H -3.879624 -1.936660 -1.543478
H -3.887892 -2.325818 0.199519
H 0.423769 -4.418494 -0.451773
H 0.675275 -3.562429 -2.013504
H -0.464836 1.171341 2.694479
H -0.408222 2.307935 -2.199007
H -4.883634 0.725145 -2.277187
H -4.963586 -0.251990 1.943369
H 1.271236 2.723827 1.769322
H 1.295781 3.288880 -0.646890
H 4.056619 1.679278 -0.078707
H 6.276063 -1.937833 0.857399
H -7.223368 1.500332 -2.129378
H -7.303598 0.528239 2.066515
H -8.446438 1.415201 0.038797
H 8.312602 -0.588187 1.182794
H 8.257296 1.889618 0.888919


%chk=000216685-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000216685

0 1
Cl 5.864111 3.744820 0.463276
O -2.804967 -0.682502 2.192560
O -2.507896 0.535605 -2.480767
N 1.502396 -2.663289 -0.255545
N 3.930629 -1.107644 -0.061201
C -3.284345 -0.271953 -0.236802
C 1.672525 -1.434966 -1.062702
C 2.809310 -3.343510 -0.119666
C 2.634668 -0.463036 -0.364265
C 3.799271 -2.423455 0.613814
C -3.336740 -1.789226 -0.642380
C -2.547288 -0.074329 1.122525
C -2.403537 0.544036 -1.226628
C -4.737126 0.270806 -0.178489
C -1.473867 0.942235 0.929016
C -1.394558 1.307042 -0.438438
C 0.444692 -3.566538 -0.785583
C 5.049125 -0.291259 0.218897
C -0.603064 1.504546 1.885444
C -0.446105 2.249123 -0.889600
C -5.343849 0.849573 -1.323830
C -5.512183 0.107875 1.000007
C -2.011822 -2.428880 -0.711749
C -0.892734 -2.946155 -0.748510
C 0.346613 2.452004 1.439680
C 0.423193 2.822313 0.066373
C 4.934722 1.135218 0.231824
C 6.342225 -0.851684 0.469139
C -6.691470 1.272182 -1.282771
C -6.858899 0.531814 1.035574
C -7.454927 1.118296 -0.103845
C 6.075267 1.921770 0.457675
C 7.456992 -0.025531 0.700950
C 7.352175 1.387338 0.695438
H 0.691695 -0.943492 -1.180538
H 2.065329 -1.673731 -2.084613
H 3.235419 -3.627368 -1.116644
H 2.679003 -4.266587 0.475433
H 2.807872 0.388125 -1.045393
H 2.151950 -0.076656 0.562093
H 3.440866 -2.280591 1.657781
H 4.779520 -2.922750 0.655883
H -3.847155 -1.848501 -1.622154
H -3.971335 -2.306757 0.101473
H 0.438931 -4.479842 -0.158726
H 0.665455 -3.894883 -1.835011
H -0.669382 1.207224 2.936601
H -0.396579 2.521308 -1.948691
H -4.769901 0.963558 -2.248520
H -5.063611 -0.350307 1.887166
H 1.036155 2.911856 2.155932
H 1.166822 3.563630 -0.246403
H 3.971809 1.629806 0.094227
H 6.488441 -1.935075 0.456789
H -7.143492 1.719035 -2.175438
H -7.441308 0.401077 1.954544
H -8.499621 1.447485 -0.074400
H 8.435129 -0.486138 0.878759
H 8.218053 2.030633 0.867327


