%chk=000187988.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000187988

0 1
Cl -5.582983 -0.433941 -0.458689
O 0.788834 -2.499456 0.656800
O 0.680996 2.122917 0.099418
N 2.400601 0.661234 0.750517
N 0.305222 -0.220807 0.312428
C 2.592437 -0.819594 0.688203
C 3.427825 -1.293958 -0.511317
C 4.689769 -0.440242 -0.677318
C 3.554011 1.533649 0.416071
C 4.330320 1.043994 -0.813931
C 1.147367 -1.355869 0.569255
C 1.089449 1.009641 0.321898
C -1.125916 -0.266543 0.131075
C -1.882838 0.914888 0.219351
C -1.750814 -1.498648 -0.137878
C -3.270034 0.877215 0.035821
C -3.133642 -1.540980 -0.317349
C -3.875975 -0.363610 -0.231407
C -4.095520 2.113714 0.120265
H 3.053074 -1.154891 1.653067
H 2.827848 -1.253816 -1.443810
H 3.694260 -2.361445 -0.373146
H 5.252471 -0.777613 -1.569805
H 5.369517 -0.590310 0.184432
H 4.213182 1.546980 1.315474
H 3.182457 2.574958 0.265284
H 5.247181 1.651667 -0.939580
H 3.733601 1.208464 -1.733257
H -1.397781 1.876177 0.420932
H -1.173438 -2.425334 -0.197095
H -3.628972 -2.491471 -0.523496
H -4.855532 2.031744 0.913732
H -3.500417 3.012886 0.328197
H -4.640660 2.293099 -0.820443


%chk=000187988-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000187988

0 1
Cl -5.748170 -0.472812 -0.468698
O 0.785689 -2.474551 0.699777
O 0.616550 2.177387 -0.249072
N 2.367117 0.704020 0.347383
N 0.273728 -0.180068 0.223806
C 2.547195 -0.728441 0.614854
C 3.533856 -1.365246 -0.396888
C 4.832397 -0.522131 -0.451455
C 3.524583 1.588654 0.163497
C 4.526333 0.950063 -0.829841
C 1.116375 -1.274765 0.529834
C 1.057516 1.047096 0.074981
C -1.154477 -0.243392 0.056942
C -1.953821 0.897049 0.320602
C -1.763456 -1.453702 -0.361040
C -3.360951 0.865240 0.164869
C -3.163543 -1.507019 -0.510585
C -3.934273 -0.359907 -0.252114
C -4.197753 2.097131 0.439969
H 2.929285 -0.891766 1.643829
H 3.063327 -1.391633 -1.398651
H 3.735717 -2.407925 -0.095052
H 5.532357 -0.963564 -1.184182
H 5.338470 -0.554888 0.535770
H 4.017478 1.753894 1.143255
H 3.147775 2.560193 -0.198465
H 5.456206 1.548540 -0.838869
H 4.098351 0.985844 -1.850408
H -1.479432 1.832390 0.624359
H -1.161820 -2.345081 -0.543300
H -3.646924 -2.435040 -0.828452
H -4.944725 1.904213 1.231650
H -3.562968 2.941221 0.755169
H -4.762094 2.403696 -0.459778


