%chk=000210558.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000210558

0 1
Cl -0.126401 -3.005618 0.971552
Cl 3.907145 -4.345644 4.272439
O -4.741245 -2.448256 -1.969210
O 2.363576 1.770381 2.132365
O 1.323893 -0.643421 0.539798
N -0.594110 2.306789 -0.015565
N -2.934577 -0.515199 -0.885119
C -1.893567 1.588207 -0.215005
C -1.604010 0.145050 -0.684581
C 0.092320 1.874840 1.241082
C -0.774370 3.797245 -0.044211
C -2.922206 -1.935171 -0.403903
C -3.348061 -0.467255 -2.326280
C 1.599821 1.788293 0.922307
C -1.041041 4.285596 -1.478462
C -4.326680 -2.531980 -0.590064
C -4.746455 -1.090777 -2.456845
C 0.174264 4.089462 -2.394430
C 1.940468 0.577204 0.038872
C -0.093629 4.599283 -3.808205
C 2.022033 -1.428755 1.420617
C 1.375347 -2.652805 1.715349
C 3.250026 -1.115704 2.018504
C 1.951932 -3.561129 2.597298
C 3.833611 -2.026672 2.902319
C 3.181909 -3.230722 3.180190
H -2.478818 2.120561 -0.998722
H -2.534815 1.571407 0.691762
H -0.996823 -0.392793 0.080401
H -0.973526 0.160530 -1.598248
H -0.065592 2.558261 2.101722
H -0.274124 0.874478 1.568093
H 0.156344 4.272510 0.337446
H -1.596218 4.138657 0.622374
H -2.661646 -1.930585 0.676787
H -2.172999 -2.564574 -0.931179
H -3.375125 0.595338 -2.646865
H -2.638047 -0.997231 -2.997661
H 1.969592 2.721073 0.427199
H -1.322189 5.355859 -1.445489
H -1.916578 3.754015 -1.903448
H -4.346097 -3.619576 -0.402935
H -5.074956 -2.018835 0.039348
H -5.506261 -0.513197 -1.901653
H -5.051825 -1.218080 -3.509645
H 0.439317 3.012656 -2.422012
H 1.055374 4.606750 -1.968748
H 3.024791 0.442986 -0.094031
H 1.434754 0.666006 -0.948229
H 0.780176 4.453390 -4.453188
H -0.934940 4.074434 -4.274596
H -0.330344 5.669185 -3.815514
H 2.044496 1.075953 2.747067
H 3.748531 -0.166852 1.803505
H 1.458113 -4.508400 2.826417
H 4.791842 -1.796170 3.372530


%chk=000210558-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000210558

0 1
Cl 0.314746 -3.393490 0.926385
Cl 4.880204 -4.416731 3.912131
O -5.115897 -2.311224 -2.093410
O 1.849015 1.813635 2.646225
O 1.274548 -0.580319 0.949580
N -0.823309 2.359225 0.005855
N -3.156017 -0.535120 -0.875184
C -2.112201 1.678035 -0.285105
C -1.889375 0.228681 -0.771578
C -0.255687 2.016311 1.329769
C -0.840802 3.824259 -0.259028
C -2.914263 -1.998491 -0.990133
C -4.029400 -0.076879 -1.986705
C 1.287513 1.889367 1.284056
C -0.772955 4.183645 -1.760129
C -4.250267 -2.756132 -0.986260
C -5.351153 -0.863504 -1.978970
C 0.543746 3.754899 -2.443984
C 1.753573 0.718792 0.406001
C 0.583110 4.116401 -3.944205
C 2.161999 -1.408086 1.643082
C 1.826937 -2.786181 1.727475
C 3.351077 -0.966413 2.280277
C 2.637542 -3.706014 2.415865
C 4.183662 -1.877159 2.966556
C 3.816937 -3.233567 3.024793
H -2.631313 2.259973 -1.067404
H -2.787553 1.654512 0.602463
H -1.238387 -0.299999 -0.050037
H -1.331985 0.261183 -1.743188
H -0.510608 2.771128 2.109413
H -0.673663 1.047744 1.664514
H 0.038827 4.269656 0.245464
H -1.741998 4.302751 0.199209
H -2.297169 -2.326697 -0.132971
H -2.357894 -2.249134 -1.928656
H -4.256426 0.997992 -1.862836
H -3.526638 -0.211748 -2.979074
H 1.722240 2.816468 0.867716
H -0.900143 5.282079 -1.856081
H -1.628204 3.727511 -2.299268
H -4.097692 -3.836136 -1.147352
H -4.769684 -2.591189 -0.017443
H -5.902916 -0.646765 -1.038388
H -5.977389 -0.597036 -2.846759
H 0.670172 2.662919 -2.312656
H 1.397035 4.237854 -1.923319
H 2.852541 0.704341 0.297119
H 1.272594 0.807655 -0.582710
H 1.534875 3.802759 -4.410949
H -0.240371 3.621005 -4.492843
H 0.476384 5.207464 -4.095104
H 1.414727 1.060701 3.124955
H 3.606903 0.096918 2.273689
H 2.357547 -4.761064 2.464994
H 5.095311 -1.525786 3.457444


