%chk=000246325.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000246325

0 1
Cl -4.337818 0.782727 -2.266980
S -1.740544 -1.414309 -0.026975
O 4.714298 -1.226507 0.745807
O 4.610446 0.935613 0.090552
N 1.904157 1.909451 1.026587
N 0.261796 0.329108 0.379772
N 0.827829 -2.013977 0.031106
C 2.756408 2.924837 0.349459
C 1.271799 3.171544 0.551095
C 1.602482 0.633214 0.522842
C 2.590253 -0.375514 0.344002
C 2.136174 -1.701035 0.128116
C -0.059355 -0.969151 0.150455
C 4.029259 -0.091173 0.368586
C -2.623866 0.161383 0.230659
C -4.060568 -0.227006 0.245188
C 6.177163 -1.165960 0.769620
C -4.920444 0.007304 -0.839316
C -4.598136 -0.854635 1.385060
C -6.268106 -0.364714 -0.809719
C -5.940914 -1.232333 1.426590
C 6.719062 -1.294040 -0.638134
C -6.777181 -0.989024 0.330566
H 3.503091 3.405058 0.994314
H 3.173849 2.725701 -0.643758
H 0.581928 3.157462 -0.297590
H 0.918137 3.841279 1.342997
H 2.860072 -2.526808 0.026835
H -2.304273 0.637169 1.183467
H -2.352512 0.893269 -0.557765
H 6.406436 -2.037910 1.409559
H 6.482054 -0.224618 1.260797
H -3.954302 -1.050837 2.244495
H -6.910761 -0.169728 -1.668953
H -6.339333 -1.720000 2.316043
H 6.474241 -0.406317 -1.240762
H 6.298289 -2.164716 -1.157024
H 7.810470 -1.400312 -0.639238
H -7.824882 -1.286093 0.365446


%chk=000246325-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000246325

0 1
Cl -4.279668 0.425701 -2.496485
S -1.735913 -1.676887 -0.147491
O 4.842708 -1.414675 0.498094
O 4.580272 0.878650 0.847874
N 1.830526 1.768576 0.884185
N 0.275403 0.121669 0.341785
N 0.889494 -2.202688 -0.078417
C 2.624370 2.865570 0.304145
C 1.098650 2.984681 0.487432
C 1.598542 0.464987 0.517147
C 2.633717 -0.534793 0.394614
C 2.190548 -1.852466 0.089128
C -0.008313 -1.172482 0.069073
C 4.068864 -0.245905 0.599762
C -2.614419 -0.002333 0.169724
C -4.101993 -0.228037 0.239543
C 6.316149 -1.251565 0.674897
C -4.965139 -0.068505 -0.872697
C -4.705056 -0.617037 1.467324
C -6.356847 -0.271065 -0.791975
C -6.094730 -0.829591 1.575884
C 6.989000 -0.903052 -0.656114
C -6.923762 -0.655387 0.443411
H 3.305012 3.373497 0.991357
H 3.009356 2.727566 -0.712377
H 0.457094 2.915205 -0.398837
H 0.702576 3.592333 1.307343
H 2.929446 -2.650229 -0.019902
H -2.203960 0.380355 1.115673
H -2.318860 0.667713 -0.649775
H 6.640204 -2.233085 1.056734
H 6.495564 -0.468807 1.432455
H -4.058228 -0.755427 2.341370
H -6.982294 -0.132306 -1.678353
H -6.528980 -1.128635 2.535388
H 6.663348 0.088497 -1.012758
H 6.751885 -1.656799 -1.426610
H 8.086714 -0.878380 -0.523173
H -8.004581 -0.816464 0.514422


