%chk=000186221.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000186221

0 1
Cl -1.592782 0.003593 -2.492396
N 2.751372 -0.002302 0.009753
C -0.085981 -0.000161 0.125767
C 0.621137 1.217878 0.095350
C 0.619286 -1.219263 0.095055
C 2.059083 1.168466 0.035813
C 2.057308 -1.172019 0.035542
C -1.565113 0.000929 0.208360
C -0.018038 2.511281 0.116429
C -0.021857 -2.511698 0.115739
C 2.810445 2.407618 0.004314
C 2.806785 -2.412309 0.003760
C -2.355974 0.002727 -0.950008
C -2.204257 0.000169 1.457946
C 0.721351 3.655132 0.084761
C 0.715791 -3.656664 0.083788
C 2.158670 3.601774 0.028439
C 2.153195 -3.605478 0.027554
C -3.751626 0.003804 -0.885914
C -3.599362 0.001239 1.534331
C -4.371340 0.003047 0.366772
H -1.107781 2.543406 0.153658
H -1.111650 -2.542174 0.152903
H 3.898374 2.333674 -0.040622
H 3.894828 -2.340004 -0.041112
H -1.603342 -0.001251 2.368525
H 0.245661 4.634719 0.098701
H 0.238613 -4.635531 0.097428
H 2.706469 4.543759 0.003964
H 2.699560 -4.548290 0.002862
H -4.344705 0.005201 -1.800709
H -4.087973 0.000655 2.508370
H -5.459246 0.003874 0.432279


%chk=000186221-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000186221

0 1
Cl -1.662545 0.003483 -2.623047
N 2.800771 -0.002346 0.022763
C -0.090042 -0.000199 0.108693
C 0.634550 1.227945 0.088170
C 0.632708 -1.229419 0.087859
C 2.095150 1.172242 0.043465
C 2.093399 -1.175883 0.043184
C -1.588409 0.000917 0.183921
C -0.005269 2.518334 0.103995
C -0.009045 -2.518854 0.103254
C 2.840601 2.403134 0.021313
C 2.837005 -2.407884 0.020715
C -2.418653 0.002701 -0.963126
C -2.232933 0.000273 1.450489
C 0.749686 3.687243 0.079995
C 0.744163 -3.688883 0.078931
C 2.186342 3.630718 0.038934
C 2.180907 -3.634491 0.037961
C -3.825617 0.003847 -0.878588
C -3.640392 0.001405 1.561502
C -4.438590 0.003203 0.394289
H -1.098914 2.568249 0.132272
H -1.102764 -2.567125 0.131438
H 3.931520 2.323922 -0.011289
H 3.928042 -2.330297 -0.011840
H -1.607805 -0.001099 2.350119
H 0.249968 4.662280 0.089726
H 0.242987 -4.663175 0.088323
H 2.762005 4.562715 0.020164
H 2.755175 -4.567342 0.018938
H -4.426673 0.005205 -1.792714
H -4.109122 0.000889 2.550948
H -5.531304 0.004093 0.466645


