%chk=000193095.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000193095

0 1
Cl -5.712953 -2.523494 -2.454459
O -3.627224 1.340508 1.421802
O 8.420344 -0.578493 -0.597316
N 1.927629 -1.104971 0.389330
N 4.807899 -1.165961 0.040563
N -1.726307 0.131157 -0.738094
C 2.767577 0.109551 0.651847
C 2.720974 -2.343990 0.677658
C 4.014866 0.072988 -0.253989
C 3.967697 -2.378905 -0.229205
C 0.661658 -1.070733 1.193908
C -0.460978 -1.758625 0.397773
C 6.074800 -1.197554 -0.754503
C -0.792078 -1.023035 -0.911135
C 7.159334 -0.491641 0.080144
C -1.114505 1.361090 -0.318523
C -3.102468 -0.169312 -0.513368
C -1.352119 1.973869 0.926590
C -3.959895 0.410804 0.456343
C -2.265649 1.330021 1.919628
C -0.223343 1.966486 -1.234186
C -3.689286 -1.094207 -1.411796
C -0.731791 3.196306 1.226884
C -5.335731 0.112838 0.501879
C 0.399626 3.167214 -0.909598
C 0.146295 3.788295 0.321342
C -5.045832 -1.384894 -1.337758
C -5.892410 -0.787367 -0.399659
H 2.162323 1.009811 0.403664
H 3.081368 0.197182 1.714716
H 3.034822 -2.417004 1.742485
H 2.082822 -3.225937 0.457762
H 3.703169 0.142262 -1.319288
H 4.650992 0.956518 -0.035549
H 4.569606 -3.281004 0.013322
H 3.654955 -2.460112 -1.292856
H 0.374861 -0.014765 1.394584
H 0.765943 -1.555333 2.188128
H -0.160578 -2.797106 0.151250
H -1.363434 -1.850469 1.031700
H 6.397857 -2.247059 -0.934742
H 5.988316 -0.732634 -1.757834
H -1.243483 -1.732958 -1.640470
H 0.150560 -0.650694 -1.380552
H 6.918950 0.564212 0.285037
H 7.349690 -1.018826 1.035014
H -1.966683 0.294630 2.163933
H -2.384317 1.914653 2.853857
H -0.042231 1.497181 -2.201053
H -3.073052 -1.563801 -2.182359
H -0.938669 3.685201 2.179119
H -5.947807 0.601914 1.261297
H 1.079373 3.634475 -1.621901
H 8.406621 -0.062219 -1.424474
H 0.626840 4.733844 0.562923
H -6.954847 -1.023607 -0.372714


%chk=000193095-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000193095

0 1
Cl -5.759234 -2.892144 -1.279063
O -3.127395 1.708709 1.600745
O 8.331706 -0.182411 0.427363
N 1.786856 -1.430454 0.345179
N 4.679830 -1.225058 0.247324
N -1.546629 0.127810 -0.560683
C 2.526660 -0.541926 1.275828
C 2.631005 -2.589383 -0.037787
C 3.836346 -0.064886 0.626836
C 3.942188 -2.112567 -0.684511
C 0.448729 -1.826507 0.849791
C -0.534112 -2.174481 -0.290361
C 6.023405 -0.842411 -0.239209
C -0.782003 -0.965849 -1.221888
C 6.992231 -0.538626 0.923131
C -1.045516 1.463559 -0.725730
C -2.899958 -0.126163 -0.150706
C -1.088545 2.378066 0.364951
C -3.615847 0.626055 0.845421
C -1.655192 1.903762 1.672638
C -0.465885 1.878231 -1.953973
C -3.606982 -1.198948 -0.771437
C -0.588439 3.689438 0.202013
C -4.960042 0.309165 1.150604
C 0.049496 3.183782 -2.096045
C -0.014314 4.100638 -1.021043
C -4.934847 -1.493183 -0.432883
C -5.645778 -0.747959 0.522113
H 1.892714 0.335476 1.504161
H 2.771037 -1.058581 2.237825
H 2.877839 -3.220087 0.853506
H 2.079866 -3.220244 -0.758887
H 3.585087 0.562516 -0.266449
H 4.386830 0.568322 1.345820
H 4.575754 -2.988452 -0.916732
H 3.698214 -1.593503 -1.646367
H 0.032477 -0.972544 1.417273
H 0.512554 -2.686598 1.561262
H -0.129914 -3.002724 -0.905026
H -1.480895 -2.540162 0.147754
H 6.446916 -1.683245 -0.818616
H 5.984516 0.040210 -0.932495
H -1.260790 -1.291389 -2.169278
H 0.211514 -0.558490 -1.473254
H 6.590196 0.260403 1.581089
H 7.142749 -1.444413 1.529812
H -1.189604 0.949500 1.990518
H -1.532853 2.656081 2.467112
H -0.440028 1.189479 -2.804275
H -3.121456 -1.794368 -1.546379
H -0.638912 4.386916 1.046948
H -5.450857 0.914716 1.918383
H 0.484154 3.490580 -3.054037
H 8.261870 0.637799 -0.124276
H 0.374327 5.117761 -1.136011
H -6.680939 -0.984915 0.779101


