%chk=000231946.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000231946

0 1
Cl 0.272201 3.520100 -0.002629
O 5.375313 -1.781863 0.000944
N -1.025111 -0.823432 0.000998
N 4.484915 0.348217 0.000578
C 0.796425 0.846547 -0.000288
C 0.326813 -0.500442 0.000834
C -1.916882 0.164933 0.000059
C 2.193427 1.101348 -0.000394
C 3.089349 0.041224 0.000617
C -0.209196 1.866289 -0.001255
C 1.277232 -1.575446 0.001835
C -1.542754 1.555733 -0.001113
C -3.361245 -0.186729 0.000233
C 2.619798 -1.314260 0.001734
C -4.038722 -0.347387 -1.216441
C -4.038736 -0.346152 1.217060
C -5.401169 -0.659226 -1.211323
C -5.401186 -0.657993 1.212243
C -6.082800 -0.812446 0.000534
C 5.554418 -0.582468 0.000671
C 6.910340 0.064787 0.000433
H 2.540806 2.133333 -0.001282
H 0.893817 -2.600127 0.002675
H -2.320400 2.318868 -0.001849
H 3.350343 -2.135486 0.002462
H 4.712729 1.345740 0.000328
H -3.503005 -0.237991 -2.158293
H -3.503029 -0.235806 2.158807
H -5.931004 -0.786566 -2.154067
H -5.931030 -0.784374 2.155109
H -7.143817 -1.056100 0.000650
H 7.083614 0.685802 -0.888799
H 7.693559 -0.714029 0.000316
H 7.083887 0.685801 0.889614


%chk=000231946-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000231946

0 1
Cl 0.392285 3.304473 -1.569397
O 5.464863 -1.675156 0.919427
N -1.051083 -0.713484 0.274501
N 4.517664 0.261812 -0.022304
C 0.837924 0.784975 -0.377826
C 0.298360 -0.443556 0.185790
C -1.942045 0.200730 -0.181814
C 2.244372 0.981581 -0.429762
C 3.123710 -0.000228 0.059270
C -0.146606 1.715087 -0.842351
C 1.225765 -1.420187 0.672675
C -1.504381 1.450748 -0.756172
C -3.391106 -0.133823 -0.062095
C 2.602693 -1.219229 0.618280
C -4.415697 0.714726 -0.564405
C -3.770342 -1.347432 0.577357
C -5.775400 0.361898 -0.428656
C -5.127461 -1.698358 0.712917
C -6.139426 -0.844944 0.211037
C 5.596044 -0.535885 0.388849
C 6.959057 0.108913 0.135695
H 2.630152 1.914304 -0.858286
H 0.808663 -2.339758 1.093653
H -2.224493 2.187334 -1.115282
H 3.303313 -1.967790 0.991402
H 4.766363 1.163099 -0.438382
H -4.170824 1.654131 -1.070785
H -2.974722 -1.994321 0.957830
H -6.550053 1.028416 -0.823837
H -5.398973 -2.636308 1.210018
H -7.195604 -1.116866 0.315923
H 7.107016 0.332464 -0.937096
H 7.742266 -0.589483 0.462607
H 7.066608 1.052518 0.702220


