%chk=000105472.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000105472

0 1
Cl -3.663797 3.459653 0.975159
S 5.794802 -1.366050 -0.238379
F -5.255068 -2.863582 -0.665313
F -3.705864 -2.479366 -2.048713
F -3.241267 -3.103301 -0.079957
O 5.629687 -1.951879 -1.812413
O 6.962518 -0.530593 -0.242830
O 5.723924 -2.552188 0.575683
O 0.372976 -1.863606 0.362181
O 0.360932 -0.615261 2.222836
N 0.854907 1.944838 0.052529
N -0.311717 1.248509 0.082147
N -1.394763 1.899188 0.010782
C 2.028931 1.136943 0.032771
C 2.029680 -0.206595 0.492533
C 4.372719 -0.420928 -0.113143
C 0.915714 3.435883 -0.114526
C 3.237019 1.695601 -0.452211
C 3.194479 -0.977342 0.386426
C 4.388626 0.923283 -0.517785
C 0.781466 3.846943 -1.573803
C 0.854984 -0.836224 1.144717
C -2.608840 1.133745 0.052741
C -3.970558 -0.839424 -0.328837
C -2.719990 -0.209588 -0.348478
C -3.765927 1.827582 0.470727
C -5.114063 -0.142881 0.085696
C -5.009315 1.191789 0.486349
C -4.052056 -2.277440 -0.766283
H 0.088815 3.884848 0.492037
H 1.866427 3.804069 0.330360
H 3.272622 2.730364 -0.795491
H 3.174359 -2.027765 0.716159
H 5.320133 1.369815 -0.893799
H 1.529618 3.372338 -2.219806
H -0.207644 3.581323 -1.977319
H 0.888025 4.933936 -1.685230
H -1.822894 -0.749429 -0.675909
H -6.094647 -0.625483 0.102661
H -5.898207 1.737490 0.813032
H 6.016281 -2.821932 -1.989275
H -0.377125 -2.354682 0.799376


%chk=000105472-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000105472

0 1
Cl -3.869559 3.728475 -0.070381
S 5.783871 -1.569128 -0.437986
F -5.024374 -2.959565 0.278076
F -3.733438 -2.894483 -1.579286
F -2.758069 -2.942776 0.463592
O 5.441192 -2.079924 -2.190892
O 7.115948 -0.651452 -0.415326
O 5.655808 -2.871216 0.513271
O 0.374766 -2.045968 0.551813
O 0.277925 -0.372098 2.166061
N 0.850845 1.932540 0.007692
N -0.324590 1.239746 -0.123868
N -1.397428 1.986151 -0.062092
C 2.015188 1.122807 -0.010057
C 1.953493 -0.254226 0.379591
C 4.274267 -0.490583 -0.262819
C 0.877815 3.414145 0.164853
C 3.243371 1.675060 -0.461800
C 3.089354 -1.073764 0.206438
C 4.390170 0.870706 -0.583402
C 0.733834 4.173651 -1.170439
C 0.780651 -0.834698 1.118031
C -2.601276 1.223856 -0.146401
C -3.863796 -0.881042 -0.203849
C -2.638460 -0.195249 -0.208127
C -3.841133 1.919176 -0.125405
C -5.091307 -0.174634 -0.169285
C -5.072227 1.233435 -0.136192
C -3.854345 -2.381607 -0.259254
H 0.028517 3.666163 0.824040
H 1.814137 3.671515 0.687126
H 3.295869 2.724328 -0.762021
H 3.053751 -2.133450 0.477249
H 5.343077 1.284202 -0.927194
H 1.535120 3.914008 -1.884516
H -0.239688 3.952101 -1.637252
H 0.780884 5.260366 -0.978866
H -1.689373 -0.735148 -0.249590
H -6.042735 -0.713263 -0.155297
H -6.006514 1.800289 -0.111293
H 6.143658 -2.742330 -2.457936
H -0.359299 -2.453513 1.090392


