%chk=000180416.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000180416

0 1
Cl 6.707192 4.119936 -1.170155
F 5.853381 -0.709310 -2.426299
O -0.628250 -2.028344 2.333941
O -2.785705 -0.402227 0.479690
O 3.707941 -0.844156 -0.867974
O -5.868552 0.117451 -1.283105
O -3.350968 -2.539535 0.968556
O -5.370173 0.447900 0.904530
N 3.959950 1.421748 -0.183084
C -1.826858 -1.223454 2.455722
C -3.655442 -0.387972 -0.684720
C -2.741766 -1.548841 1.262045
C -2.465812 -1.704542 3.743158
C 0.393524 -1.591232 1.506058
C -3.003691 0.576170 -1.652650
C 1.557349 -2.378248 1.646823
C 0.315829 -0.516554 0.613640
C 2.581715 -0.989573 -0.017485
C 2.671120 -2.068690 0.876558
C 1.436960 -0.206302 -0.163116
C -5.017881 0.122268 -0.197902
C 4.369299 0.349035 -0.903153
C 5.518991 0.382307 -1.749993
C -7.230901 0.614561 -1.086840
C 6.262138 1.548119 -1.848485
C 5.830405 2.653265 -1.092322
C 4.693262 2.566839 -0.278907
C -7.271933 2.026277 -1.376230
C -7.303328 3.206001 -1.618626
H -1.566764 -0.138919 2.477053
H -3.757281 -1.426227 -1.087794
H -3.400251 -1.167936 3.957911
H -1.785501 -1.561631 4.595307
H -2.698668 -2.781489 3.701576
H -2.763123 1.535960 -1.171748
H -2.061290 0.169136 -2.045027
H -3.666434 0.785858 -2.506810
H 1.562707 -3.207658 2.353152
H -0.595931 0.072921 0.503784
H 3.593610 -2.644582 0.948895
H 1.420802 0.632946 -0.857968
H -7.560267 0.386614 -0.048332
H -7.798141 0.005977 -1.824439
H 7.149189 1.614975 -2.483926
H 4.340443 3.417899 0.319330
H -7.335195 4.219362 -1.823336


%chk=000180416-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000180416

0 1
Cl 6.980439 3.537577 -2.799443
F 6.845372 -1.296083 -0.853491
O -0.757330 -2.012317 2.289607
O -2.787484 0.449651 0.654041
O 4.277341 -0.987354 -0.018823
O -5.708243 0.237440 -1.543937
O -2.712760 -1.812286 0.064654
O -5.503044 -0.208028 0.746511
N 4.193496 1.260499 -0.874115
C -1.869663 -1.054409 2.285913
C -3.595631 0.728525 -0.557419
C -2.471472 -0.903571 0.879703
C -2.936341 -1.625412 3.230700
C 0.448265 -1.635626 1.664517
C -3.574294 2.247107 -0.768583
C 1.474447 -2.612093 1.713063
C 0.683478 -0.390059 1.036403
C 2.956253 -1.091708 0.514776
C 2.725106 -2.341107 1.138860
C 1.944400 -0.110752 0.456420
C -5.019824 0.192333 -0.329494
C 4.841050 0.094450 -0.656019
C 6.191335 -0.084969 -1.086607
C -7.144084 -0.205798 -1.509568
C 6.867220 0.946828 -1.741869
C 6.162532 2.155675 -1.954660
C 4.835228 2.283341 -1.512827
C -8.052182 0.937011 -1.377250
C -8.839147 1.879835 -1.279200
H -1.525024 -0.062115 2.634290
H -3.161564 0.189208 -1.418595
H -3.827227 -0.974416 3.239257
H -2.525066 -1.696107 4.251125
H -3.234734 -2.631350 2.892399
H -3.985966 2.769623 0.111120
H -2.536973 2.585503 -0.927182
H -4.175295 2.508214 -1.655269
H 1.269610 -3.569527 2.199963
H -0.093595 0.378372 0.980846
H 3.531681 -3.079187 1.162310
H 2.137477 0.846647 -0.026420
H -7.271681 -0.911241 -0.668724
H -7.285698 -0.725354 -2.470738
H 7.900226 0.808979 -2.070258
H 4.268236 3.206132 -1.664087
H -9.523171 2.704023 -1.184598


