%chk=000085051.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000085051

0 1
Cl -4.587319 2.860041 -0.955675
O -5.790789 0.079631 -0.895663
O -3.799629 -3.353861 -0.020581
C 2.954281 0.038909 -0.096077
C 4.360659 0.107602 0.514294
C 1.870826 0.273712 0.965218
C 5.444339 -0.126837 -0.546838
C 0.466270 0.205002 0.352969
C 6.850588 -0.058333 0.063373
C -0.620462 0.441143 1.414315
C 7.935785 -0.292949 -0.996959
C -1.991149 0.374335 0.801007
C -2.684039 -0.847835 0.749543
C 9.337679 -0.225620 -0.395113
C -2.582111 1.528606 0.269271
C -3.954626 -0.938705 0.179089
C -3.852714 1.450468 -0.301504
C -4.543222 0.229585 -0.351000
C -4.697288 -2.246892 0.137504
H 2.801850 -0.945814 -0.578854
H 2.858526 0.788756 -0.905059
H 4.514380 1.091885 0.997232
H 4.457741 -0.642791 1.322550
H 2.025413 1.257921 1.448273
H 1.968127 -0.476957 1.773431
H 5.348164 0.623370 -1.355287
H 5.291493 -1.111273 -1.029787
H 0.309335 -0.780013 -0.128614
H 0.367024 0.954147 -0.456708
H 6.948783 -0.808024 0.871857
H 7.005587 0.925437 0.546522
H -0.462716 1.422804 1.906242
H -0.523208 -0.307315 2.227756
H 7.840182 0.457669 -1.805796
H 7.783546 -1.278207 -1.479571
H -2.229681 -1.755915 1.158336
H -2.057631 2.484721 0.297442
H 10.105004 -0.394267 -1.158880
H 9.479073 -0.982710 0.384554
H 9.535776 0.752106 0.058559
H -5.189018 -2.464042 1.108480
H -5.453861 -2.268445 -0.672033
H -6.157992 0.927412 -1.261777
H -3.319475 -3.281257 -0.871143


%chk=000085051-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000085051

0 1
Cl -4.712189 2.950956 -1.007413
O -5.925376 0.139938 -0.936022
O -3.953513 -3.430086 0.185351
C 2.990108 0.026603 -0.085262
C 4.415344 0.088158 0.509332
C 1.878028 0.241053 0.966171
C 5.525610 -0.123167 -0.544778
C 0.456969 0.187386 0.363321
C 6.952702 -0.053273 0.044176
C -0.658107 0.409467 1.423348
C 8.061124 -0.263915 -1.012739
C -2.056140 0.359606 0.826082
C -2.782471 -0.856623 0.756011
C 9.484115 -0.187536 -0.418307
C -2.647814 1.529400 0.284856
C -4.064837 -0.938737 0.169453
C -3.920851 1.447150 -0.297591
C -4.649643 0.238193 -0.368056
C -4.831350 -2.254278 0.105038
H 2.841996 -0.955886 -0.580413
H 2.892750 0.793327 -0.882162
H 4.563324 1.070459 1.005188
H 4.514868 -0.679355 1.305257
H 2.028637 1.221670 1.464883
H 1.970352 -0.528718 1.760875
H 5.421695 0.641140 -1.343411
H 5.380682 -1.107720 -1.037201
H 0.297551 -0.792757 -0.130165
H 0.360092 0.955006 -0.431185
H 7.059624 -0.817578 0.842393
H 7.099556 0.931286 0.536048
H -0.487751 1.387605 1.914976
H -0.557183 -0.364360 2.209251
H 7.951007 0.497913 -1.811513
H 7.915000 -1.249048 -1.501308
H -2.355269 -1.774167 1.176066
H -2.122705 2.489134 0.322552
H 10.257354 -0.342318 -1.193307
H 9.629375 -0.958045 0.362466
H 9.665836 0.799223 0.048294
H -5.501398 -2.358582 0.976358
H -5.463325 -2.277056 -0.804494
H -6.208979 1.026397 -1.285728
H -3.351298 -3.430662 -0.601791


