%chk=000257011.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000257011

0 1
Cl 7.124970 3.620497 -0.843411
Cl 7.647175 -3.392939 0.111249
S -9.095464 0.363839 -0.646207
N 5.543129 0.069882 0.197123
N -0.917611 0.248239 -0.234223
N -7.282948 -0.430549 1.006543
C 4.143110 -0.113754 0.182821
C 6.169032 1.113219 -0.655291
C 6.438243 -1.040065 0.597603
C 3.559278 -1.228820 0.835433
C 3.295322 0.850221 -0.414075
C 6.362960 2.375731 0.192254
C 6.561897 -2.109444 -0.494281
C 1.333527 -0.401616 0.300252
C 2.177132 -1.359416 0.891823
C 1.914301 0.702183 -0.351005
C -0.126638 -0.577410 0.378781
C -2.338215 0.132913 -0.164044
C -5.142305 0.114465 -0.134497
C -3.053165 0.087848 -1.377501
C -3.028149 0.166199 1.062870
C -4.445139 0.074846 -1.356666
C -4.421990 0.158619 1.072241
C -6.609549 0.112655 -0.124491
C -7.442320 0.590199 -1.105368
C -8.584190 -0.374181 0.882848
H 5.543578 1.340723 -1.551756
H 7.149058 0.764867 -1.054051
H 6.055708 -1.496363 1.543799
H 7.441414 -0.623650 0.850601
H 4.182680 -1.982862 1.310748
H 3.708683 1.717272 -0.924732
H 7.022504 2.199038 1.062056
H 5.402914 2.778511 0.569217
H 6.993126 -1.710660 -1.430653
H 5.585076 -2.570977 -0.738927
H 1.745951 -2.222519 1.402488
H 1.264487 1.452614 -0.814724
H -0.457682 -1.447424 0.974065
H -2.511758 0.068537 -2.322750
H -2.477553 0.214590 1.999858
H -4.995304 0.027132 -2.296391
H -4.961027 0.180597 2.023023
H -7.171676 1.057378 -2.036067
H -9.304271 -0.728164 1.610415


%chk=000257011-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000257011

0 1
Cl 7.175796 3.714542 -0.858278
Cl 7.829114 -3.413362 0.846657
S -9.298236 0.187954 -0.465461
N 5.589496 -0.019354 0.017022
N -0.949447 0.312104 -0.430482
N -7.276421 -0.326932 1.189794
C 4.185907 -0.145819 0.049223
C 6.249933 1.072206 -0.722103
C 6.463138 -0.968262 0.730927
C 3.553432 -1.235511 0.726820
C 3.339201 0.815063 -0.596952
C 6.328613 2.349839 0.135817
C 6.729870 -2.222050 -0.124251
C 1.316493 -0.393457 0.117372
C 2.153961 -1.346460 0.757775
C 1.945274 0.688257 -0.562856
C -0.139882 -0.533073 0.168618
C -2.354830 0.217719 -0.292080
C -5.214636 0.139753 -0.138316
C -3.157351 0.623762 -1.396506
C -3.010979 -0.195442 0.905949
C -4.558086 0.572218 -1.325429
C -4.414431 -0.230836 0.977422
C -6.685952 0.085712 -0.031930
C -7.612366 0.399360 -1.025891
C -8.589141 -0.331040 1.140121
H 5.723490 1.283727 -1.668882
H 7.272662 0.756787 -0.993881
H 6.021021 -1.258609 1.700108
H 7.424614 -0.474997 0.957937
H 4.147721 -2.004169 1.228980
H 3.770265 1.670214 -1.125741
H 6.942274 2.208607 1.037977
H 5.336259 2.740068 0.402773
H 7.280423 -1.988357 -1.047634
H 5.810113 -2.777918 -0.355050
H 1.699086 -2.194271 1.285850
H 1.305251 1.426164 -1.057538
H -0.521104 -1.415572 0.726998
H -2.650115 0.968755 -2.302996
H -2.416536 -0.452821 1.790433
H -5.143877 0.880869 -2.198486
H -4.920236 -0.537989 1.897821
H -7.430770 0.735541 -2.043666
H -9.250711 -0.610919 1.959015


