%chk=000218548.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000218548

0 1
Cl -8.279485 2.055567 0.460079
S 7.367969 1.389972 -1.725589
S -3.331862 -1.514502 -0.580270
N 5.852512 0.329255 0.206078
N -4.554643 0.686349 0.312443
C 5.606591 -0.950608 0.949135
C 4.341106 -1.659459 0.436446
C 3.077647 -0.817707 0.655840
C 1.825120 -1.537607 0.140466
C 6.936116 1.130803 0.875766
C 6.173152 0.096067 -1.227967
C 0.566718 -0.687097 0.358685
C 7.426524 2.197668 -0.094562
C -0.689650 -1.406839 -0.157916
C -1.926738 -0.550073 0.070077
C -4.741021 -0.513072 -0.291602
C -5.997846 -0.999869 -0.699294
C -7.115408 -0.199440 -0.467102
C -5.646587 1.462661 0.536315
C -6.932023 1.041777 0.156608
H 6.469243 -1.650836 0.897140
H 5.468836 -0.692141 2.023337
H 4.244242 -2.630812 0.960616
H 4.445436 -1.907241 -0.637070
H 2.965816 -0.577938 1.730208
H 3.196550 0.161962 0.147265
H 1.940255 -1.769524 -0.936092
H 1.713515 -2.514165 0.649770
H 6.473747 1.597632 1.775021
H 7.785887 0.506449 1.229869
H 6.606184 -0.896969 -1.458835
H 5.232671 0.218197 -1.807878
H 0.452305 -0.452572 1.434911
H 0.679979 0.289349 -0.152148
H 6.774516 3.090561 -0.097591
H 8.456487 2.529334 0.117314
H -0.790858 -2.386691 0.353452
H -0.565516 -1.638044 -1.236424
H -1.864701 0.425289 -0.450632
H -2.088573 -0.321321 1.141398
H -6.096253 -1.971867 -1.181824
H -8.112920 -0.528533 -0.763170
H -5.475140 2.429233 1.025630


%chk=000218548-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000218548

0 1
Cl -8.210405 2.367307 0.656974
S 6.946972 1.668465 -1.870408
S -3.429830 -1.644048 -0.758491
N 5.933528 0.290884 0.237550
N -4.519595 0.653554 0.302533
C 5.675379 -0.938739 1.027914
C 4.415715 -1.702857 0.565148
C 3.119311 -0.872493 0.682142
C 1.872377 -1.618368 0.157978
C 6.970446 1.176969 0.821390
C 6.279047 0.025509 -1.173405
C 0.571715 -0.798148 0.315130
C 7.077333 2.391612 -0.112995
C -0.672921 -1.531129 -0.241982
C -1.947798 -0.697041 -0.042091
C -4.794048 -0.502869 -0.359612
C -6.111065 -0.865997 -0.757432
C -7.172044 0.006255 -0.451821
C -5.548932 1.498881 0.598538
C -6.876171 1.204056 0.237175
H 6.558225 -1.629856 1.000951
H 5.536800 -0.627646 2.081629
H 4.329266 -2.620499 1.182068
H 4.544732 -2.048768 -0.480581
H 2.962484 -0.595566 1.745998
H 3.252612 0.079455 0.132610
H 2.018982 -1.870915 -0.913214
H 1.762925 -2.584916 0.693720
H 6.658500 1.482625 1.836936
H 7.966393 0.670639 0.898809
H 7.082352 -0.739031 -1.289178
H 5.390627 -0.269745 -1.752754
H 0.413620 -0.565451 1.388542
H 0.689151 0.176249 -0.202344
H 6.240312 3.090235 0.034835
H 8.042663 2.912985 -0.020419
H -0.780811 -2.510953 0.264518
H -0.522710 -1.741411 -1.319651
H -1.900192 0.273647 -0.561555
H -2.165517 -0.510750 1.021700
H -6.295802 -1.803563 -1.290278
H -8.198745 -0.236017 -0.740301
H -5.294982 2.420645 1.131624


