%chk=000199379.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000199379

0 1
Cl 9.394078 0.296507 -0.908439
O -3.259439 -0.070407 2.054457
N 0.777597 -0.340670 0.887357
N 3.592394 0.046919 0.327294
C -1.630846 -0.815965 0.528031
C -0.609287 0.092636 1.256741
C -3.059212 -0.191078 0.629370
C 1.231935 0.323946 -0.377598
C 1.748797 -0.031129 1.986598
C 2.616607 -0.226325 -0.773475
C 3.138890 -0.581024 1.607239
C -1.612400 -2.221978 1.129741
C -3.116311 1.201419 -0.002172
C -4.157959 -1.059275 0.016346
C 4.974845 0.009078 0.018357
C -3.083280 1.355358 -1.394987
C -3.925386 -1.819202 -1.138928
C -3.184987 2.339356 0.814189
C -5.435082 -1.074523 0.596609
C 5.422947 0.229848 -1.308848
C 5.940360 -0.123767 1.048545
C -3.128160 2.631992 -1.962745
C -4.952700 -2.583920 -1.699378
C -3.232201 3.614387 0.244823
C -6.461051 -1.839561 0.037098
C -3.204778 3.763722 -1.145245
C -6.222177 -2.596548 -1.114014
C 6.782247 0.322803 -1.591984
C 7.299077 -0.030488 0.763082
C 7.707767 0.188900 -0.554492
H -1.359578 -0.873821 -0.554397
H -0.800209 1.162253 1.025284
H -0.767524 -0.012547 2.353639
H 1.277652 1.432423 -0.293505
H 0.501214 0.085278 -1.180132
H 1.400514 -0.538347 2.912719
H 1.822146 1.055903 2.209225
H 2.545019 -1.316961 -0.986196
H 2.956267 0.276371 -1.707191
H 3.861007 -0.337721 2.419277
H 3.095535 -1.690209 1.518058
H -0.583802 -2.605554 1.173864
H -2.009922 -2.215195 2.153657
H -2.210589 -2.931916 0.551359
H -4.194565 0.146386 2.265125
H -3.032089 0.482862 -2.044623
H -2.939900 -1.825983 -1.604293
H -3.188796 2.226088 1.899961
H -5.628694 -0.487174 1.496084
H 4.702328 0.343556 -2.117667
H 5.623192 -0.286061 2.077923
H -3.106280 2.743775 -3.045575
H -4.761263 -3.172929 -2.595226
H -3.288363 4.492649 0.885915
H -7.447556 -1.844806 0.498218
H -3.242477 4.756703 -1.588993
H -7.020496 -3.192775 -1.551604
H 7.121738 0.496857 -2.613576
H 8.037605 -0.129216 1.559394


%chk=000199379-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000199379

0 1
Cl 9.513625 0.259909 -1.109965
O -3.456619 -0.123984 2.134115
N 0.774091 -0.304399 0.933438
N 3.592728 -0.028046 0.294673
C -1.661974 -0.824849 0.572073
C -0.619843 0.078469 1.285938
C -3.109604 -0.221253 0.694500
C 1.215580 0.277618 -0.356024
C 1.758604 0.047243 1.984259
C 2.596660 -0.261344 -0.769255
C 3.144132 -0.513201 1.621354
C -1.558302 -2.266988 1.119574
C -3.157411 1.223557 0.150856
C -4.190223 -1.062437 -0.030147
C 4.969815 -0.004517 -0.027292
C -2.912670 1.467202 -1.224519
C -3.916642 -1.847062 -1.179701
C -3.440618 2.319520 1.000844
C -5.528397 -0.995708 0.438465
C 5.434736 -0.261617 -1.354946
C 5.953652 0.321688 0.958893
C -2.935961 2.781748 -1.738308
C -4.949762 -2.551336 -1.837620
C -3.470780 3.635689 0.485067
C -6.561672 -1.700086 -0.216283
C -3.214702 3.874410 -0.884129
C -6.277322 -2.483148 -1.358809
C 6.803969 -0.175288 -1.684750
C 7.322034 0.398445 0.636116
C 7.737153 0.153643 -0.687233
H -1.406855 -0.842221 -0.506663
H -0.813916 1.150023 1.052118
H -0.749899 -0.037366 2.378065
H 1.267271 1.394591 -0.294781
H 0.486504 0.020694 -1.145571
H 1.432593 -0.397414 2.942404
H 1.838257 1.155509 2.123396
H 2.511079 -1.346225 -1.011387
H 2.909398 0.274579 -1.681925
H 3.864546 -0.213750 2.397598
H 3.086533 -1.625688 1.619063
H -0.509648 -2.600244 1.033521
H -1.824056 -2.308801 2.195460
H -2.206077 -2.976769 0.578210
H -3.542852 -1.047032 2.483536
H -2.725127 0.629415 -1.906364
H -2.895547 -1.924142 -1.569513
H -3.633759 2.127516 2.059202
H -5.749818 -0.375634 1.313333
H 4.737266 -0.554217 -2.143771
H 5.656237 0.549395 1.986501
H -2.747123 2.952352 -2.804344
H -4.715953 -3.154844 -2.722078
H -3.693019 4.474578 1.154709
H -7.588698 -1.633149 0.160493
H -3.237715 4.895036 -1.282355
H -7.078094 -3.029843 -1.869132
H 7.135096 -0.378666 -2.707602
H 8.053494 0.659335 1.406991


