%chk=000299758.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000299758

0 1
Cl 6.008742 2.354315 1.073300
O -3.386470 -2.074381 1.046010
O -1.534172 2.194793 -0.255311
O -3.577269 0.832288 0.943797
O 2.637761 -0.068601 -1.668469
N 1.930005 -2.079093 -0.722292
N 3.799959 -0.877106 0.150068
C -0.430670 -1.294512 -0.854089
C 0.684847 -2.057384 -1.535756
C -0.417279 0.107540 -0.902632
C -1.440847 -1.978752 -0.186973
C -2.472810 -1.250072 0.448391
C -1.443252 0.824927 -0.284188
C -2.489860 0.157465 0.409357
C 2.765340 -0.928510 -0.808607
C 4.842540 0.167546 0.026637
C 4.666787 1.173878 1.168126
C -4.536343 -1.479552 1.704243
C -0.525514 2.950423 -0.977021
C -3.234325 1.811968 1.962359
H 0.909330 -1.601639 -2.534127
H 0.399673 -3.116785 -1.732055
H 0.396441 0.610949 -1.428351
H -1.472442 -3.064272 -0.142311
H 1.800523 -2.506403 0.196721
H 4.751596 0.689643 -0.961452
H 5.855571 -0.292419 0.054102
H 4.028865 -1.679160 0.725891
H 3.713074 1.729278 1.082198
H 4.702109 0.697522 2.164476
H -4.208336 -0.911459 2.578550
H -5.116323 -2.366356 1.982192
H -5.082424 -0.834846 1.004706
H 0.465856 2.765296 -0.553344
H -0.852337 3.982060 -0.797961
H -0.561020 2.705672 -2.043276
H -2.648640 2.623472 1.512345
H -4.221316 2.166245 2.276308
H -2.692468 1.336923 2.781637


%chk=000299758-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000299758

0 1
Cl 6.249459 2.531815 0.329629
O -3.567723 -1.954324 1.309268
O -1.555219 2.291036 -0.015545
O -3.624705 0.907367 1.252864
O 2.774293 -0.145957 -1.721438
N 1.966075 -1.948372 -0.457531
N 4.045454 -0.966126 0.060718
C -0.450653 -1.263621 -0.576209
C 0.698770 -2.039065 -1.213995
C -0.434237 0.154065 -0.611450
C -1.525971 -1.934677 0.039008
C -2.574198 -1.204758 0.652034
C -1.479585 0.887750 -0.011251
C -2.553207 0.216111 0.654700
C 2.911404 -0.971985 -0.762143
C 5.120121 0.010350 -0.160856
C 4.823004 1.318236 0.592916
C -4.971650 -1.696490 0.918502
C -0.511361 3.017556 -0.747510
C -3.272512 1.833241 2.352376
H 0.916930 -1.643173 -2.220939
H 0.431433 -3.106647 -1.313223
H 0.395347 0.654606 -1.120008
H -1.580368 -3.028266 0.065748
H 2.028828 -2.464550 0.421498
H 5.190834 0.221232 -1.240762
H 6.080124 -0.415628 0.179001
H 4.164655 -1.674117 0.785429
H 3.924729 1.812366 0.196342
H 4.750598 1.173978 1.681453
H -5.242162 -0.643547 1.099217
H -5.571445 -2.369922 1.549864
H -5.120614 -1.950577 -0.149128
H 0.489211 2.840784 -0.307982
H -0.780853 4.079430 -0.649729
H -0.499621 2.728689 -1.815302
H -2.636296 2.652445 1.978536
H -4.234962 2.226631 2.714047
H -2.759026 1.285017 3.165053


