%chk=000279747.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000279747

0 1
Cl -0.301119 -0.106014 -2.718337
S -7.430474 -0.867633 1.944204
F -7.638084 -2.430805 1.823385
O -1.492295 -0.393890 -0.207784
O -7.004347 -0.692893 3.300021
O -8.651200 -0.326910 1.430915
N 4.094556 -0.164108 -0.037409
N 6.218211 1.142708 0.186619
N 6.196340 -1.300894 0.342805
N 4.206764 -2.555930 0.352297
N 8.180169 -0.052683 0.731922
C 4.772141 1.235020 -0.030126
C 4.518368 1.867884 -1.405703
C 4.156384 2.065065 1.105220
C 2.653175 -0.234474 -0.029249
C 4.863104 -1.315123 0.212082
C 1.962896 -0.156200 -1.255298
C 1.951250 -0.379124 1.179227
C 6.819387 -0.016496 0.392063
C -0.132995 -0.347849 -0.032838
C 0.574890 -0.207925 -1.250038
C 0.555428 -0.436928 1.182617
C -2.337312 -0.459296 0.983464
C -3.744140 -0.421098 0.452439
C -4.810338 -0.643916 1.332374
C -6.124346 -0.600591 0.854929
C -3.999823 -0.159296 -0.904506
C -6.380316 -0.334661 -0.494024
C -5.314918 -0.116203 -1.373096
H 5.105507 2.794541 -1.497605
H 4.842289 1.212667 -2.222166
H 3.467055 2.124649 -1.560028
H 4.677652 3.031789 1.178929
H 3.094032 2.269289 0.949150
H 4.278500 1.577137 2.079139
H 2.511532 -0.052323 -2.194919
H 2.501476 -0.452488 2.120755
H 0.027173 -0.550851 2.125637
H 4.821189 -3.367750 0.379939
H 3.364609 -2.707735 -0.186916
H -2.115564 0.416239 1.623459
H -2.115367 -1.403546 1.515547
H 8.724264 0.770347 0.509374
H 8.659521 -0.932751 0.597363
H -4.619064 -0.843125 2.393484
H -3.158441 0.008188 -1.590092
H -7.411442 -0.289465 -0.864108
H -5.510780 0.089447 -2.426315


%chk=000279747-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000279747

0 1
Cl -0.196526 0.028278 -2.932465
S -7.512032 -0.663376 2.238876
F -7.630778 -2.512674 2.374948
O -1.533000 -0.332677 -0.330286
O -6.947294 -0.160128 3.657036
O -8.921265 -0.172071 1.646144
N 4.130709 -0.099722 0.068893
N 6.186896 1.101950 0.768563
N 6.246935 -1.247939 0.057152
N 4.302346 -2.409071 -0.485715
N 8.098391 -0.228904 1.041227
C 4.870675 1.263755 0.138424
C 5.041154 1.796346 -1.312335
C 4.046383 2.246624 0.990914
C 2.697988 -0.169068 -0.008647
C 4.921722 -1.229481 -0.122979
C 2.035337 -0.054569 -1.263248
C 1.921889 -0.352755 1.161112
C 6.793771 -0.068030 0.609876
C -0.149130 -0.289713 -0.153370
C 0.635620 -0.115771 -1.323422
C 0.514327 -0.409691 1.093692
C -2.376321 -0.495163 0.854515
C -3.825052 -0.507525 0.397229
C -4.843928 -0.579173 1.377347
C -6.172860 -0.595855 0.932656
C -4.178040 -0.456683 -0.973733
C -6.568577 -0.547126 -0.413203
C -5.534680 -0.473563 -1.372759
H 5.622861 2.733806 -1.283416
H 5.597408 1.065212 -1.925934
H 4.064020 2.005941 -1.785565
H 4.618545 3.186010 1.062369
H 3.058704 2.461823 0.547251
H 3.915864 1.851844 2.012675
H 2.617624 0.080317 -2.179332
H 2.432625 -0.447732 2.123899
H -0.058351 -0.547357 2.015191
H 4.894532 -3.233309 -0.548737
H 3.316109 -2.454932 -0.725215
H -2.199821 0.340950 1.562820
H -2.126070 -1.447062 1.368643
H 8.588023 0.563537 1.445916
H 8.520707 -1.150914 0.992759
H -4.616019 -0.608384 2.449188
H -3.379896 -0.396833 -1.717891
H -7.625375 -0.555194 -0.696394
H -5.790653 -0.429954 -2.435864


