%chk=000218807.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000218807

0 1
Cl -8.128116 0.790923 0.061818
S 9.967509 -0.207663 0.014798
O -2.569540 -0.818931 0.013035
N 5.986714 0.490128 -0.027923
N -4.158051 0.919198 0.015015
C 2.283754 -0.514803 -0.060529
C 0.988589 0.308350 -0.047353
C 3.518343 0.394192 -0.089160
C -0.244252 -0.601565 -0.017262
C 4.812863 -0.434944 -0.101143
C -1.524183 0.226229 -0.006655
C 7.283149 -0.253873 -0.124539
C 8.414149 0.741034 0.132883
C -3.863465 -0.414622 0.024386
C -4.835335 -1.449025 0.045379
C -6.169435 -1.071405 0.057133
C -5.473367 1.265207 0.026921
C -6.487575 0.298236 0.047706
H 2.290720 -1.192432 -0.936455
H 2.320174 -1.172104 0.830670
H 0.982769 0.984184 0.830982
H 0.952309 0.967220 -0.937316
H 3.520918 1.066191 0.794025
H 3.480217 1.060710 -0.971785
H -0.248245 -1.285876 -0.890220
H -0.219948 -1.265023 0.871442
H 4.835149 -1.100308 -0.991127
H 4.846503 -1.095928 0.794262
H -1.644768 0.848780 0.895317
H -1.667126 0.837452 -0.913046
H 5.930374 1.181310 -0.784340
H 7.418726 -0.765732 -1.103731
H 7.288018 -1.049947 0.656806
H 8.305128 1.201576 1.134226
H 8.414418 1.564284 -0.603872
H -4.520790 -2.489426 0.051908
H 10.827322 0.726995 0.470920
H -6.964508 -1.819788 0.073507
H -5.696712 2.339894 0.019418


%chk=000218807-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000218807

0 1
Cl -8.255174 1.095987 0.141004
S 10.150201 -0.034220 0.077487
O -2.665132 -0.935835 -0.025925
N 6.042398 0.459861 -0.108624
N -4.175696 0.890239 0.052380
C 2.312659 -0.587876 -0.078375
C 0.981973 0.197561 -0.058190
C 3.554829 0.330306 -0.085406
C -0.254915 -0.730751 -0.054739
C 4.879340 -0.457080 -0.090201
C -1.560303 0.064110 -0.020986
C 7.362725 -0.205357 -0.081319
C 8.462477 0.846069 0.136063
C -3.960474 -0.450282 0.012468
C -5.007425 -1.413752 0.007744
C -6.332433 -0.948992 0.046953
C -5.465844 1.336210 0.090611
C -6.554807 0.447765 0.089001
H 2.333566 -1.248689 -0.969795
H 2.354422 -1.256482 0.806429
H 0.959270 0.853729 0.836420
H 0.940709 0.870192 -0.940135
H 3.543734 0.995802 0.799440
H 3.515837 0.990113 -0.978723
H -0.245220 -1.374995 -0.955036
H -0.218038 -1.404045 0.823321
H 4.879399 -1.172886 -0.951910
H 4.945515 -1.070570 0.830509
H -1.648464 0.688708 0.887508
H -1.673801 0.724481 -0.901115
H 5.974343 1.126996 -0.891331
H 7.583739 -0.794736 -1.006038
H 7.370360 -0.919335 0.763783
H 8.333497 1.329368 1.116668
H 8.440979 1.610802 -0.659884
H -4.768939 -2.479368 -0.025545
H 10.906095 1.063971 0.453678
H -7.173085 -1.648276 0.045204
H -5.615920 2.419957 0.122709


