%chk=000258978.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000258978

0 1
Cl 2.575958 -2.510617 0.393024
O -4.825905 -0.773026 1.183396
N -1.820881 0.277185 -0.294870
N 1.051510 -0.049366 -0.260194
N -3.776061 1.191694 1.575236
C -3.266746 -0.039128 -0.563469
C -1.001415 0.447888 -1.539775
C -1.160240 -0.749526 0.582743
C 0.402120 0.962580 -1.152877
C 0.236942 -0.239312 0.986366
C -3.513653 -1.435674 -1.146914
C -3.892341 1.031312 -1.472769
C -4.014531 0.056484 0.806152
C 2.449745 0.183241 0.005301
C 3.262905 -0.933982 0.296201
C 3.067508 1.445291 -0.083143
C 4.637736 -0.804290 0.497297
C 4.444753 1.575650 0.108039
C 5.231160 0.457650 0.400995
H -1.485882 1.197025 -2.200122
H -0.906951 -0.497116 -2.119849
H -1.061179 -1.740381 0.083920
H -1.772231 -0.903160 1.496440
H 1.019615 1.070949 -2.071016
H 0.315156 1.965389 -0.680368
H 0.148121 0.701028 1.572925
H 0.730460 -0.990743 1.639579
H -3.190190 -2.232354 -0.465191
H -3.002682 -1.576966 -2.102921
H -4.587913 -1.607960 -1.308022
H -3.586373 0.909584 -2.517617
H -3.617867 2.045896 -1.158490
H -4.988840 0.966856 -1.453527
H 2.472865 2.331523 -0.296043
H -3.006607 1.811267 1.374531
H -4.197330 1.271054 2.487154
H 5.243384 -1.683788 0.720017
H 4.907645 2.559391 0.032391
H 6.303537 0.565651 0.552170


%chk=000258978-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000258978

0 1
Cl 2.503957 -2.543462 0.659888
O -5.199621 -0.521297 0.980849
N -1.857912 0.244818 -0.285983
N 1.034589 0.130340 -0.132108
N -3.569430 1.017031 1.629397
C -3.307703 -0.072197 -0.570688
C -1.010250 0.577329 -1.459928
C -1.165859 -0.792846 0.534474
C 0.356927 1.118736 -0.994875
C 0.186532 -0.255936 1.025225
C -3.550237 -1.493367 -1.142390
C -3.916641 0.982262 -1.538331
C -4.112550 0.091742 0.765145
C 2.438565 0.229381 0.038759
C 3.246542 -0.880014 0.433811
C 3.139387 1.446426 -0.226421
C 4.639017 -0.786444 0.597819
C 4.538854 1.547898 -0.091665
C 5.298403 0.436670 0.335546
H -1.499683 1.360225 -2.061714
H -0.837404 -0.311648 -2.112402
H -0.980559 -1.724260 -0.046186
H -1.796603 -1.045839 1.405087
H 0.984353 1.313727 -1.882551
H 0.188317 2.085939 -0.462339
H 0.014911 0.631717 1.679300
H 0.695874 -1.028860 1.619709
H -3.221374 -2.281006 -0.443957
H -3.014324 -1.620648 -2.100883
H -4.628682 -1.643605 -1.312123
H -3.580871 0.820418 -2.578065
H -3.653044 2.009007 -1.227517
H -5.015849 0.887213 -1.523774
H 2.566016 2.330306 -0.522312
H -2.661613 1.417022 1.370509
H -4.047572 1.244434 2.499523
H 5.204158 -1.673322 0.899900
H 5.032455 2.502477 -0.304690
H 6.384228 0.506833 0.452660


