%chk=000189554.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000189554

0 1
Cl 0.229446 2.464051 -2.438819
Cl 0.372046 1.612458 0.266557
O -2.278425 -1.483654 0.604190
O -3.083949 -0.669333 -1.345525
O 2.352059 -0.240071 1.014053
N -2.083831 -4.651183 1.528158
C -4.192535 1.740852 0.369701
C -2.694156 2.053984 0.360166
C -3.170559 0.641001 0.735139
C -5.012754 2.296770 1.510768
C -4.959015 1.647866 -0.922584
C -1.957267 2.303587 -0.897174
C -2.886847 -0.494047 -0.167832
C -0.634852 2.149131 -0.995783
C -1.715122 -2.633401 -0.101934
C -0.246268 -2.357431 -0.355678
C -1.919475 -3.760270 0.814005
C 0.429708 -1.438859 0.447285
C 0.404725 -2.997542 -1.421467
C 1.766475 -1.145063 0.133352
C 1.744824 -2.704158 -1.690110
C 2.442773 -1.767898 -0.921045
C 3.441915 0.529687 0.581399
C 3.459847 1.179535 -0.657315
C 4.452957 0.685298 1.538224
C 4.541672 2.017806 -0.938779
C 5.519014 1.533444 1.231147
C 5.567218 2.193987 -0.002519
H -2.288545 2.653746 1.195806
H -3.084993 0.350676 1.798288
H -5.871833 1.648481 1.732705
H -5.409955 3.290202 1.261224
H -4.443057 2.402514 2.441979
H -5.192996 2.643173 -1.320157
H -5.909903 1.114747 -0.787760
H -4.409331 1.098464 -1.706655
H -2.552481 2.639015 -1.753662
H -2.285425 -2.781778 -1.061665
H -0.063274 -0.953350 1.292038
H -0.126648 -3.716979 -2.041007
H 2.253653 -3.207732 -2.513215
H 3.484523 -1.537012 -1.133472
H 2.645761 1.051387 -1.369755
H 4.391173 0.160743 2.489140
H 4.581226 2.541572 -1.893942
H 6.318917 1.677666 1.957352
H 6.404364 2.849815 -0.232922


%chk=000189554-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000189554

0 1
Cl -0.338300 2.500188 -3.350025
Cl -0.038450 3.600974 -0.545014
O -2.254105 -1.448117 0.976502
O -3.092277 -0.915013 -1.140538
O 3.072189 -1.176134 0.949730
N -1.462515 -4.481121 2.292604
C -4.296239 1.690745 0.232135
C -2.814505 2.034667 -0.001407
C -3.225732 0.686561 0.731014
C -4.996602 2.482792 1.338899
C -5.210117 1.343367 -0.941443
C -2.189731 1.988315 -1.342290
C -2.904665 -0.593321 0.059588
C -1.038265 2.607414 -1.687222
C -1.605387 -2.666475 0.348375
C -0.257070 -2.271083 -0.238087
C -1.528516 -3.657671 1.433579
C 0.817540 -1.921664 0.612752
C -0.118146 -2.171030 -1.643104
C 2.020283 -1.455864 0.047095
C 1.103312 -1.723513 -2.193942
C 2.179226 -1.361499 -1.357017
C 3.938868 -0.070979 0.722928
C 3.493546 1.142960 0.149086
C 5.260106 -0.216252 1.197584
C 4.402513 2.219095 0.040111
C 6.154528 0.870766 1.085816
C 5.732843 2.089658 0.503416
H -2.374106 2.764869 0.686432
H -3.023314 0.672244 1.805302
H -5.841856 1.904208 1.754783
H -5.396541 3.431396 0.935219
H -4.311099 2.729787 2.169900
H -5.516336 2.267957 -1.464806
H -6.124364 0.847701 -0.566751
H -4.740775 0.660616 -1.666184
H -2.677576 1.387657 -2.118200
H -2.277303 -3.030973 -0.451648
H 0.730836 -1.990361 1.701705
H -0.962589 -2.417330 -2.294359
H 1.218570 -1.652205 -3.280227
H 3.126486 -1.014116 -1.780870
H 2.459855 1.255070 -0.193000
H 5.562909 -1.167258 1.645738
H 4.061997 3.162444 -0.400853
H 7.181348 0.763069 1.452042
H 6.430326 2.929355 0.416552


