%chk=000190731.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000190731

0 1
Cl 7.561317 -1.452177 -0.019343
S -5.784985 0.421997 -0.252088
O -3.302834 -2.499468 -0.394959
O 0.864293 -0.423574 -0.129559
N 0.007992 1.733362 0.002993
N 2.344554 1.362588 0.040787
N -5.329001 -1.256431 -0.361020
C -3.239786 -0.089338 -0.218690
C -1.387616 1.416403 -0.058515
C -4.133157 1.004814 -0.164168
C -1.860794 0.098694 -0.166982
C -2.285339 2.515251 -0.003749
C -3.662180 2.310286 -0.056625
C -4.012863 -1.346667 -0.331127
C 1.054062 0.773225 -0.037602
C 3.575492 0.631377 0.021819
C 4.764432 1.389240 0.110308
C 3.628284 -0.770865 -0.079116
C 5.998463 0.740485 0.097291
C 4.865400 -1.413673 -0.091604
C 6.034364 -0.652716 -0.003472
C -4.080885 -3.731491 -0.505686
H -1.182638 -0.764292 -0.210716
H -1.903122 3.531276 0.080382
H -4.349400 3.154879 -0.014432
H 0.231501 2.725721 0.080758
H 2.435537 2.376193 0.117248
H 4.733057 2.473571 0.188653
H 2.706570 -1.362386 -0.147958
H 6.923821 1.314133 0.164969
H 4.917510 -2.501317 -0.169583
H -4.724029 -3.844353 0.372996
H -3.287844 -4.486745 -0.538159
H -4.673873 -3.714303 -1.425751


%chk=000190731-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000190731

0 1
Cl 7.887311 -1.217592 -0.012163
S -5.911209 0.537249 -0.264705
O -3.466079 -2.529217 -0.397522
O 0.902767 -0.608030 -0.137247
N 0.038889 1.580110 0.001457
N 2.348764 1.248411 0.043654
N -5.450424 -1.226337 -0.372269
C -3.320516 -0.093275 -0.224950
C -1.359773 1.322480 -0.061761
C -4.168050 1.047574 -0.172543
C -1.913624 0.026454 -0.171048
C -2.218912 2.465967 -0.008746
C -3.617911 2.341079 -0.063438
C -4.114546 -1.315396 -0.335221
C 1.082703 0.639685 -0.038536
C 3.619992 0.609919 0.026762
C 4.766039 1.446108 0.123825
C 3.790673 -0.796910 -0.082056
C 6.063784 0.897374 0.112743
C 5.090740 -1.345888 -0.093177
C 6.209448 -0.498476 0.003563
C -4.332862 -3.724490 -0.503380
H -1.273301 -0.855556 -0.212968
H -1.778600 3.468037 0.076595
H -4.251505 3.231846 -0.021336
H 0.286489 2.568351 0.081310
H 2.386539 2.266851 0.122658
H 4.649970 2.534320 0.208211
H 2.913615 -1.441161 -0.156381
H 6.941266 1.545369 0.187486
H 5.223161 -2.428419 -0.176961
H -4.998334 -3.791626 0.374366
H -3.632872 -4.570743 -0.540550
H -4.947325 -3.670373 -1.418371


