%chk=000217347.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000217347

0 1
Cl 3.031327 -1.718330 -1.573895
O 0.888233 -0.395386 0.138306
N -2.414697 1.926202 0.404924
N 1.885631 1.665882 0.103750
N 6.917058 -1.981435 1.749540
C -3.135422 0.678373 -0.005476
C -5.120603 -0.128332 -1.350921
C -2.964243 -1.434512 -1.374066
C -4.395729 -1.398506 0.702792
C -4.364389 1.120183 -0.850629
C -2.200719 -0.191151 -0.879995
C -3.636075 -0.155272 1.210650
C -4.180263 -0.992599 -2.218370
C -5.610291 -0.954588 -0.141533
C -3.451046 -2.259982 -0.162873
C -1.236815 1.728769 1.299803
C -0.179039 2.798818 0.967011
C 0.651812 2.404247 -0.265533
C 1.887652 0.286372 0.296039
C 3.215563 -0.277065 0.689342
C 3.819172 -1.252560 -0.114940
C 3.852619 0.095523 1.882933
C 5.028411 -1.849427 0.218059
C 5.061080 -0.480357 2.255600
C 5.662566 -1.455653 1.420303
H -5.995315 0.192903 -1.959082
H -2.284759 -2.057638 -1.997477
H -4.748319 -1.995049 1.573358
H -5.038677 1.760568 -0.259010
H -4.025335 1.732408 -1.705717
H -1.293320 -0.490818 -0.312318
H -1.825492 0.400610 -1.733378
H -4.288430 0.454643 1.855098
H -2.783192 -0.469988 1.835615
H -3.842603 -0.421846 -3.100449
H -4.718540 -1.874067 -2.605350
H -6.176970 -1.836201 -0.486585
H -6.306407 -0.358884 0.472616
H -3.968354 -3.172283 -0.503794
H -2.585793 -2.597405 0.434836
H -3.062395 2.593635 0.832372
H -0.794999 0.712303 1.137409
H -1.507479 1.788363 2.373741
H 0.471935 2.962820 1.844423
H -0.676638 3.769164 0.769545
H 0.945071 3.304591 -0.845042
H 0.031331 1.767470 -0.946416
H 2.720245 2.216744 0.263317
H 3.385909 0.840912 2.530555
H 5.475441 -2.595971 -0.433767
H 5.545001 -0.179762 3.180463
H 7.224611 -2.821065 1.285017
H 7.244284 -1.890172 2.697699


%chk=000217347-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000217347

0 1
Cl 4.344522 0.126318 -2.470150
O 1.314390 0.813711 -1.661138
N -2.199206 1.945050 0.319392
N 1.647614 2.063733 0.285002
N 5.661289 -2.875430 1.556445
C -2.839372 0.620472 0.083380
C -4.501154 -0.549922 -1.467971
C -2.451822 -1.791748 -0.648574
C -4.339419 -1.261887 0.962388
C -3.810067 0.794089 -1.118796
C -1.769151 -0.441038 -0.302385
C -3.657679 0.091995 1.306673
C -3.417374 -1.595290 -1.847589
C -5.302832 -1.059531 -0.238898
C -3.251035 -2.302595 0.581494
C -1.265778 2.115426 1.450245
C -0.323400 3.315477 1.196401
C 0.622959 3.082243 -0.002426
C 1.917038 0.990830 -0.559841
C 2.953382 0.034473 -0.017048
C 4.030972 -0.479161 -0.779082
C 2.824265 -0.468055 1.308235
C 4.934671 -1.427366 -0.276087
C 3.703968 -1.424763 1.841891
C 4.779176 -1.924537 1.050624
H -5.188292 -0.395994 -2.323607
H -1.671508 -2.529838 -0.919027
H -4.911053 -1.623027 1.841170
H -4.576428 1.559038 -0.865731
H -3.236010 1.175232 -1.985379
H -1.065118 -0.601941 0.539784
H -1.172126 -0.064296 -1.153593
H -4.424802 0.844435 1.588024
H -2.985100 -0.034048 2.179656
H -2.850955 -1.251598 -2.735565
H -3.896409 -2.559346 -2.113864
H -5.807321 -2.015447 -0.485513
H -6.094252 -0.329919 0.028413
H -3.724262 -3.278442 0.350442
H -2.565403 -2.466207 1.438002
H -2.900711 2.699619 0.293753
H -0.651232 1.200848 1.537036
H -1.773244 2.254417 2.435474
H 0.261921 3.529630 2.115811
H -0.927431 4.222307 0.989968
H 1.111370 4.033295 -0.295791
H 0.037979 2.714949 -0.862654
H 2.265761 2.208726 1.086296
H 1.985141 -0.116140 1.919680
H 5.758900 -1.778227 -0.905393
H 3.556982 -1.797141 2.862318
H 6.417865 -3.242657 0.986690
H 5.552386 -3.235525 2.499915


