%chk=000218776.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000218776

0 1
Cl -4.482009 3.336726 0.263555
S 8.845005 0.361339 -1.115552
S 9.509425 0.244807 0.827409
O -2.345927 -1.241804 -0.058965
O 8.342612 1.235008 1.518059
O 9.285421 -1.064304 1.335458
O 10.738239 0.951962 0.962418
N 4.942583 -0.656096 -0.587828
N -3.964640 0.438708 0.115292
C 1.176789 -0.015881 -0.236204
C 2.488443 -0.802088 -0.348070
C -0.029662 -0.960353 -0.200808
C 3.697122 0.147298 -0.381123
C -1.328018 -0.169717 -0.088345
C 6.170414 0.197856 -0.530957
C -3.644843 -0.862864 0.042941
C 7.324542 -0.641341 -1.075325
C -6.329888 -0.252094 0.247457
C -5.923695 -1.638252 0.166006
C -5.312929 0.748069 0.218102
C -4.588167 -1.944281 0.064298
C -7.690931 0.157791 0.354923
C -6.947448 -2.722221 0.192402
C -5.699733 2.127600 0.298066
C -8.026588 1.489360 0.429480
C -7.020165 2.493039 0.401063
H 1.082711 0.684040 -1.090597
H 1.189477 0.615311 0.674482
H 2.484406 -1.426671 -1.265476
H 2.579280 -1.512407 0.496197
H -0.055965 -1.596622 -1.109182
H 0.051105 -1.669629 0.648064
H 3.725414 0.766176 0.541830
H 3.601498 0.851852 -1.237918
H -1.417564 0.413451 0.843578
H -1.535804 0.475614 -0.958383
H 5.003783 -1.390578 0.127624
H 6.396756 0.575963 0.494760
H 6.013979 1.098679 -1.168152
H 7.122328 -0.963001 -2.121465
H 7.479285 -1.574054 -0.493548
H -4.214012 -2.962645 -0.000790
H -8.470903 -0.603325 0.377579
H -7.534761 -2.697947 1.123121
H -7.653225 -2.629032 -0.647244
H -6.504362 -3.726351 0.123615
H -9.067454 1.798741 0.511456
H -7.309014 3.543431 0.461467
H 8.648393 1.914838 2.141632


%chk=000218776-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000218776

0 1
Cl -4.499405 3.314972 0.157492
S 8.818110 0.619157 -1.408611
S 9.967464 -0.046632 0.690439
O -2.463904 -1.388403 0.012904
O 9.762376 1.573014 1.586390
O 9.015104 -1.146217 1.415249
O 11.555575 -0.339273 0.591361
N 4.925564 -0.340927 -0.412641
N -4.087116 0.316371 0.101614
C 1.082922 0.015257 -0.134102
C 2.460417 -0.669718 -0.273718
C -0.080827 -1.002271 -0.119572
C 3.624812 0.339498 -0.277923
C -1.438702 -0.307613 -0.013374
C 6.126088 0.491965 -0.545859
C -3.788667 -0.985690 0.071851
C 7.282237 -0.386623 -1.061188
C -6.491049 -0.321719 0.182474
C -6.113055 -1.724783 0.150056
C -5.424913 0.663997 0.156228
C -4.759164 -2.043648 0.095033
C -7.851321 0.111375 0.238492
C -7.164683 -2.814172 0.175434
C -5.799664 2.046802 0.188509
C -8.167389 1.473671 0.267803
C -7.133446 2.454842 0.242742
H 0.941667 0.729035 -0.972042
H 1.060929 0.617976 0.797358
H 2.497209 -1.261110 -1.208911
H 2.596906 -1.387155 0.563132
H -0.058215 -1.614742 -1.041542
H 0.037290 -1.699220 0.732686
H 3.574805 0.966342 0.646709
H 3.514512 1.034137 -1.134566
H -1.535375 0.295465 0.908767
H -1.643654 0.356733 -0.873198
H 5.042519 -1.139666 0.224020
H 6.442402 0.992011 0.398935
H 5.908724 1.293951 -1.277086
H 7.013816 -0.916684 -1.993642
H 7.561090 -1.146805 -0.300675
H -4.410851 -3.079396 0.068154
H -8.655124 -0.631075 0.258667
H -7.783138 -2.756481 1.090758
H -7.851557 -2.732141 -0.687771
H -6.698408 -3.812330 0.143814
H -9.211338 1.800472 0.310471
H -7.378202 3.520775 0.265944
H 10.477927 1.610779 2.289337


