%chk=000189374.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000189374

0 1
Cl -4.348374 1.159897 -1.153958
N 1.453815 -0.777012 -0.015699
N 1.697097 -2.467854 -1.510207
C 2.019525 1.702062 0.114887
C 1.797739 0.346678 0.868029
C 2.330391 2.760663 1.190174
C 3.205328 1.588619 -0.853354
C 0.750219 2.097012 -0.649839
C 0.162107 -1.221900 -0.352791
C 2.359875 -1.559834 -0.752232
C -1.079788 -0.689394 0.202418
C 0.342649 -2.265983 -1.275675
C -2.012324 -0.081432 -0.654479
C -1.357899 -0.805152 1.575229
C -3.199831 0.405234 -0.108213
C -2.557138 -0.308164 2.093024
C -3.491945 0.306639 1.254133
H 2.718485 0.083711 1.436498
H 0.987547 0.479087 1.621937
H 1.504376 2.881275 1.898609
H 2.500240 3.742845 0.732697
H 3.231114 2.516264 1.761684
H 4.119158 1.258590 -0.351007
H 3.425395 2.554856 -1.322645
H 2.997853 0.885652 -1.669686
H -0.126268 2.148418 0.005504
H 0.859373 3.077290 -1.126364
H 0.516445 1.378024 -1.445160
H 3.430850 -1.446926 -0.698582
H -0.410841 -2.865797 -1.755450
H -1.809536 0.003339 -1.722743
H -0.644362 -1.301995 2.231642
H -2.769852 -0.404486 3.158019
H -4.428822 0.694973 1.651501


%chk=000189374-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000189374

0 1
Cl -4.819099 0.541435 -1.229460
N 1.420119 -0.768809 -0.033949
N 1.645241 -2.378316 -1.631409
C 2.123605 1.705622 0.138010
C 1.829489 0.342556 0.850436
C 2.442761 2.724458 1.265885
C 3.344548 1.590516 -0.809734
C 0.884797 2.182443 -0.660618
C 0.109417 -1.153896 -0.409299
C 2.294992 -1.536581 -0.802468
C -1.144119 -0.661271 0.189311
C 0.287726 -2.136637 -1.397304
C -2.225231 -0.313602 -0.668898
C -1.337402 -0.578664 1.597722
C -3.445468 0.102196 -0.109624
C -2.569408 -0.144838 2.131030
C -3.644436 0.204690 1.280768
H 2.736733 0.019589 1.396221
H 1.032873 0.505629 1.595043
H 1.582085 2.850323 1.949920
H 2.675779 3.714060 0.832610
H 3.316943 2.406139 1.865987
H 4.244964 1.239189 -0.269313
H 3.579811 2.578711 -1.246284
H 3.149050 0.895868 -1.645979
H -0.003477 2.283342 -0.009625
H 1.084937 3.168294 -1.119343
H 0.634075 1.476203 -1.472263
H 3.375491 -1.449689 -0.717662
H -0.484523 -2.711207 -1.904777
H -2.097327 -0.359599 -1.754288
H -0.540921 -0.904650 2.275374
H -2.706783 -0.094299 3.216371
H -4.604640 0.535995 1.685510


