%chk=000114888.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000114888

0 1
Cl -6.096481 -0.266521 0.368131
O -1.836005 2.178930 -1.728835
O 4.306254 -1.100560 0.289136
O 3.431644 0.857000 1.019073
N -0.246825 -1.130873 0.000586
N -0.266762 1.955308 -0.099762
N 1.769395 -2.135547 -0.293330
C 0.728376 -0.215443 0.428683
C 0.382381 1.137075 0.947690
C -1.661144 -0.901957 0.047981
C -2.199237 0.366848 -0.243163
C 1.963784 -0.853019 0.240796
C -1.419037 1.541413 -0.773656
C 0.448946 -2.300627 -0.437063
C -2.497866 -1.973482 0.418162
C 0.571921 3.016307 -0.710769
C -3.586847 0.554492 -0.144808
C -3.873802 -1.778521 0.512930
C 3.269848 -0.259110 0.556351
C -4.401818 -0.511128 0.238337
C 5.663652 -0.602689 0.543341
C 6.087812 0.323410 -0.575958
H -0.296490 1.061682 1.833023
H 1.320449 1.646183 1.311314
H -0.055043 -3.167313 -0.839771
H -2.072578 -2.952998 0.644284
H 1.522808 2.612426 -1.096945
H 0.790094 3.795313 0.038523
H 0.032115 3.493428 -1.553866
H -4.020263 1.532351 -0.390513
H -4.532149 -2.601626 0.801020
H 5.683211 -0.115900 1.534170
H 6.221347 -1.557899 0.557911
H 7.155181 0.565710 -0.514393
H 5.903084 -0.127021 -1.560828
H 5.529744 1.270958 -0.542681


%chk=000114888-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000114888

0 1
Cl -6.240542 -0.413045 0.240111
O -2.087924 2.393988 -1.543732
O 4.342100 -1.120733 0.324558
O 3.460424 0.947626 0.962289
N -0.225613 -1.086036 0.022517
N -0.276684 1.974633 -0.140161
N 1.776469 -2.113914 -0.299157
C 0.752370 -0.176410 0.442816
C 0.348736 1.175738 0.943665
C -1.641100 -0.870890 0.084735
C -2.226296 0.401906 -0.191200
C 1.982266 -0.825565 0.240961
C -1.513462 1.657068 -0.678380
C 0.450902 -2.241765 -0.418156
C -2.463119 -1.979585 0.411401
C 0.468627 3.142063 -0.650117
C -3.641187 0.514198 -0.148651
C -3.862419 -1.852295 0.461361
C 3.299812 -0.235592 0.542053
C -4.433591 -0.594294 0.180002
C 5.721489 -0.597613 0.575188
C 6.274864 0.079656 -0.681656
H -0.353744 1.084706 1.795554
H 1.252447 1.698618 1.289808
H -0.066365 -3.097457 -0.844277
H -2.000425 -2.942134 0.650008
H 1.483093 2.836436 -0.962665
H 0.555744 3.920559 0.130498
H -0.082273 3.554981 -1.508333
H -4.087652 1.476093 -0.414870
H -4.492391 -2.707407 0.720497
H 5.686558 0.101851 1.428794
H 6.290730 -1.501965 0.842250
H 7.329490 0.367975 -0.515155
H 6.235598 -0.606291 -1.545038
H 5.702769 0.991494 -0.922420


