%chk=000276184.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000276184

0 1
Cl 0.875294 -0.400018 3.988126
S -5.262117 3.440622 -2.641236
F -4.157966 3.697098 -3.743373
O 0.058024 2.048175 2.894382
O -2.675347 -0.518967 0.823288
O -1.644597 4.212831 0.633277
O -6.337470 2.848711 -3.383537
O -5.382588 4.701897 -1.980022
N 4.211190 -0.436558 0.070243
N 5.000723 -1.975345 -1.740276
N 6.540429 -0.461590 -0.584921
N 5.813779 1.149573 0.966475
N 7.259828 -1.807269 -2.405048
N -2.091308 2.025662 1.220620
C 3.833633 -1.514402 -0.984994
C 2.823030 -0.899321 -1.963624
C 3.239861 -2.707140 -0.221450
C 3.148647 0.247662 0.766998
C 5.529849 0.052314 0.128020
C 6.198608 -1.443568 -1.564371
C 2.605464 -0.345934 1.922348
C 2.663985 1.482716 0.300639
C 1.570077 0.300394 2.589421
C 1.628375 2.132225 0.974667
C 1.083998 1.539173 2.118880
C -0.482140 3.337861 2.542961
C -3.005804 1.702462 0.170665
C -1.447615 3.255406 1.356863
C -4.511352 2.258857 -1.645724
C -3.611395 2.660168 -0.645265
C -3.329049 0.320529 -0.038116
C -4.816346 0.910892 -1.836648
C -4.228921 -0.069756 -1.031263
C -2.942150 -1.943676 0.733169
H 3.225241 -0.006148 -2.456661
H 1.878125 -0.633030 -1.483616
H 2.603181 -1.618110 -2.767545
H 2.271166 -2.475193 0.227572
H 3.915313 -3.062738 0.565138
H 3.097210 -3.550711 -0.914031
H 2.990101 -1.301143 2.288488
H 3.102681 1.937031 -0.591996
H 1.255278 3.084964 0.597967
H 6.803363 1.362375 1.080020
H 5.280878 1.243936 1.820657
H 8.194397 -1.610408 -2.073603
H 7.157451 -2.671946 -2.919124
H -1.019808 3.616262 3.476016
H 0.317115 4.078193 2.351858
H -3.380696 3.730995 -0.497099
H -1.831151 1.248738 1.847370
H -5.526578 0.608832 -2.618562
H -4.476294 -1.116448 -1.189543
H -2.633908 -2.324358 -0.245092
H -2.296732 -2.336130 1.532120
H -3.996662 -2.145343 0.943390


%chk=000276184-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000276184

0 1
Cl 0.755637 -0.488489 3.851483
S -5.455924 2.752894 -2.772889
F -4.153264 2.693586 -4.101452
O 0.052502 2.220444 2.913087
O -2.562913 -0.496099 1.366643
O -1.919385 4.336116 0.665436
O -6.717589 1.950007 -3.364836
O -5.547958 4.292428 -2.326867
N 4.165699 -0.270919 -0.131578
N 4.713281 -2.043766 -1.778590
N 6.367002 -1.249582 -0.146964
N 5.802324 0.301443 1.498601
N 6.752045 -3.153951 -1.437364
N -2.082668 2.060558 1.260486
C 3.919092 -0.825256 -1.559953
C 4.339634 0.259244 -2.590258
C 2.431613 -1.194697 -1.714130
C 3.141561 0.401663 0.615285
C 5.454233 -0.425204 0.377318
C 5.880369 -2.119155 -1.150598
C 2.545930 -0.253049 1.729311
C 2.681317 1.692527 0.256316
C 1.528900 0.382214 2.453858
C 1.647409 2.321210 0.983220
C 1.064898 1.676698 2.100809
C -0.551843 3.499897 2.513926
C -3.016746 1.576107 0.322776
C -1.577727 3.345263 1.372149
C -4.573934 1.721612 -1.501116
C -3.672947 2.372452 -0.639758
C -3.284468 0.165925 0.375990
C -4.860100 0.348997 -1.477906
C -4.199624 -0.438448 -0.509828
C -2.703889 -1.952257 1.505940
H 5.392754 0.551631 -2.430780
H 3.698802 1.157757 -2.525012
H 4.249162 -0.159957 -3.607223
H 1.766721 -0.318024 -1.631240
H 2.143954 -1.947858 -0.960880
H 2.304766 -1.646462 -2.711260
H 2.879339 -1.257086 2.006562
H 3.131716 2.206859 -0.597415
H 1.302298 3.309631 0.666284
H 6.726132 0.127696 1.886714
H 5.214860 1.044675 1.866441
H 7.604889 -3.241919 -0.893544
H 6.505917 -3.824772 -2.159096
H -1.069112 3.852028 3.422467
H 0.199699 4.254421 2.224680
H -3.477436 3.447107 -0.689642
H -1.706652 1.354561 1.908697
H -5.576597 -0.089933 -2.178044
H -4.400011 -1.511699 -0.461076
H -2.400213 -2.464438 0.574559
H -2.022089 -2.222521 2.324282
H -3.743064 -2.220803 1.770878


