%chk=000198753.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000198753

0 1
Cl -1.234027 -1.442002 0.087547
F -0.833817 3.373354 -1.333757
O 3.855965 2.349257 -0.107066
O 5.693893 1.376110 1.506844
O 5.880418 -0.851348 1.564329
N -2.382756 1.149083 -1.070333
N 1.854501 -1.201728 0.328052
N -4.294034 -1.475669 1.457228
C -4.539525 0.330525 -0.257263
C 1.344111 -2.575643 0.167952
C 2.175663 -3.569417 -0.640906
C 0.873604 -3.047448 -1.201001
C -5.212894 -0.420914 0.929366
C -3.285554 1.149093 0.134230
C -4.070958 -0.598581 -1.397655
C -2.875845 0.117128 -2.046724
C -0.978420 1.075919 -0.743423
C 1.108805 -0.046735 -0.064056
C -5.591070 0.599506 2.028756
C -6.491303 -1.124850 0.436138
C -0.291174 -0.060619 -0.281696
C 1.802765 1.177084 -0.197612
C 3.166018 -1.074426 0.746131
C -0.227774 2.267066 -0.909073
C 1.129749 2.331327 -0.626917
C 3.848801 0.116725 0.726012
C 3.262400 1.320927 0.130268
C 5.203480 0.121123 1.279172
H -5.298357 1.039262 -0.671204
H 0.826865 -2.921437 1.078589
H 2.248998 -4.599655 -0.292531
H 3.116255 -3.263551 -1.100291
H 0.887811 -2.358766 -2.046783
H 0.000311 -3.698190 -1.261736
H -3.542642 2.210449 0.336737
H -2.792277 0.747723 1.040296
H -4.878878 -0.780900 -2.123396
H -3.779205 -1.590693 -1.001326
H -2.093651 -0.588369 -2.379212
H -3.193767 0.694218 -2.944922
H -4.715701 1.090282 2.462643
H -6.138358 0.123826 2.848825
H -6.240143 1.388929 1.634398
H -7.050113 -1.579433 1.260646
H -7.165186 -0.428700 -0.071846
H -6.248756 -1.931929 -0.267348
H -4.711170 -1.968525 2.240330
H -3.417156 -1.077187 1.780010
H 3.664242 -1.994074 1.113249
H 1.699763 3.266340 -0.734976
H 6.625596 1.350535 1.864608


%chk=000198753-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000198753

0 1
Cl -0.407371 -2.538812 0.564361
F -1.495684 2.522466 0.019727
O 3.474646 2.645923 0.531598
O 6.062090 1.765739 1.144850
O 6.536419 -0.448231 0.670327
N -2.305991 -0.202035 -0.005939
N 2.552501 -1.404851 -0.004247
N -5.993483 -0.758569 1.820747
C -4.667721 0.202726 -0.065729
C 2.381602 -2.769725 -0.530702
C 3.300915 -3.238905 -1.666141
C 1.815146 -2.963263 -1.936936
C -6.002871 0.274861 0.747375
C -3.388275 0.467785 0.765929
C -4.375033 -1.177037 -0.708639
C -2.859121 -1.165251 -1.003866
C -0.960071 0.138318 0.085305
C 1.480862 -0.471420 0.117088
C -6.178087 1.710645 1.325807
C -7.192273 -0.050326 -0.188684
C 0.098084 -0.825805 0.145677
C 1.827621 0.911169 0.263935
C 3.841681 -0.990546 0.242035
C -0.520784 1.505186 0.137756
C 0.801256 1.887383 0.278082
C 4.233939 0.318368 0.502940
C 3.235462 1.399059 0.441350
C 5.685758 0.482893 0.762424
H -4.720485 0.973381 -0.862088
H 2.103926 -3.507262 0.225475
H 3.650899 -4.273853 -1.627739
H 4.025158 -2.529585 -2.077149
H 1.573813 -2.063917 -2.510954
H 1.129552 -3.800275 -2.089472
H -3.183982 1.540792 0.898111
H -3.460661 -0.002739 1.769726
H -4.958525 -1.354323 -1.627806
H -4.630087 -1.958468 0.029556
H -2.417530 -2.171927 -0.907651
H -2.643049 -0.791844 -2.026473
H -5.373649 1.949344 2.046903
H -7.143944 1.793810 1.858232
H -6.156148 2.479338 0.529839
H -8.153496 0.078735 0.345060
H -7.201220 0.622787 -1.064459
H -7.135161 -1.092450 -0.547975
H -6.934110 -1.041675 2.116170
H -5.410549 -0.515060 2.629366
H 4.609691 -1.767865 0.201479
H 1.095868 2.938949 0.350613
H 7.047979 1.761364 1.294107


