%chk=000279444.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000279444

0 1
Cl 5.746941 -2.184809 3.306650
O -1.243356 1.703631 -1.693365
O -1.715798 2.555500 1.444636
O 0.512522 2.670243 0.861538
O 1.988376 0.093357 -1.964833
O -5.818192 -3.452133 -0.915112
O 2.171862 -0.732138 0.165837
N -2.934420 0.227982 -0.996102
N -3.619233 -1.631779 -2.149604
N -4.483007 -0.039434 0.997734
N -5.894142 -1.991177 0.860457
N 4.050033 -0.367067 -1.222917
C -1.459391 1.374430 0.689574
C 0.047875 1.425094 0.328500
C -2.215327 1.478501 -0.668471
C 0.109512 1.432175 -1.211699
C -0.603731 3.502666 1.281543
C 0.542377 0.100681 -1.834661
C -0.274945 4.055489 2.646891
C -0.943715 4.508762 0.204105
C -3.931130 -0.395325 -0.233792
C -2.796547 -0.581538 -2.180073
C -4.337280 -1.548474 -0.953617
C -5.377721 -2.447810 -0.428057
C 2.703703 -0.386159 -0.866619
C -5.502044 -0.927305 1.482234
C 5.122683 -0.772586 -0.364527
C 4.895830 -1.239828 0.939839
C 6.430914 -0.683106 -0.885404
C 6.004377 -1.609952 1.700845
C 7.510645 -1.065547 -0.088338
C 7.311133 -1.533266 1.215109
H -1.759984 0.525906 1.332451
H 0.693174 0.648597 0.804562
H -2.909615 2.354953 -0.726509
H 0.709955 2.286054 -1.604102
H 0.220767 0.026914 -2.894500
H 0.200942 -0.787670 -1.271327
H 0.768199 4.403972 2.685564
H -0.926932 4.891813 2.925201
H -0.379982 3.281519 3.422917
H -0.165329 5.279718 0.121625
H -1.029416 4.037938 -0.786270
H -1.894478 5.015308 0.412953
H -2.112239 -0.302838 -2.967645
H -4.217027 0.814433 1.476527
H -5.930600 -0.629553 2.453244
H 4.290919 -0.041077 -2.166066
H 3.882314 -1.315847 1.352201
H 6.607943 -0.322496 -1.896144
H 8.524484 -0.998967 -0.487400
H 8.154801 -1.831456 1.835816


%chk=000279444-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000279444

0 1
Cl 5.522072 -2.948486 3.245253
O -1.277507 1.815488 -1.885338
O -1.681978 2.422550 1.487904
O 0.386080 3.118960 0.571562
O 2.161718 0.309561 -2.009731
O -5.721305 -3.505689 -0.615953
O 2.121169 -0.868229 0.038164
N -2.834969 0.167319 -1.046764
N -3.643114 -1.697561 -2.099187
N -4.151825 -0.034623 1.081833
N -5.604379 -1.968912 1.174853
N 4.125635 -0.371338 -1.129693
C -1.296457 1.403076 0.518318
C 0.155171 1.749639 0.076434
C -2.156664 1.459508 -0.788004
C 0.153705 1.659036 -1.461830
C -0.838853 3.643450 1.234676
C 0.682429 0.325137 -2.032693
C -0.459088 4.228268 2.590163
C -1.557628 4.626414 0.299434
C -3.742732 -0.432447 -0.182128
C -2.827142 -0.641914 -2.210753
C -4.235493 -1.586628 -0.824571
C -5.220406 -2.451698 -0.153448
C 2.763492 -0.372681 -0.922023
C -5.102071 -0.875438 1.696352
C 5.135884 -0.912746 -0.286009
C 4.833606 -1.587506 0.925302
C 6.485078 -0.755269 -0.700628
C 5.905713 -2.082389 1.687888
C 7.528771 -1.269119 0.093679
C 7.253592 -1.942729 1.306295
H -1.369450 0.423704 1.016804
H 0.909775 1.089033 0.529946
H -2.928818 2.247453 -0.705778
H 0.703537 2.502760 -1.909694
H 0.413549 0.255153 -3.098041
H 0.293463 -0.549595 -1.480830
H 0.232389 5.076117 2.451035
H -1.358810 4.588862 3.117372
H 0.036276 3.460424 3.204846
H -0.934139 5.527354 0.168260
H -1.723758 4.183957 -0.697395
H -2.525806 4.930569 0.733510
H -2.228879 -0.379615 -3.077515
H -3.805015 0.806595 1.552873
H -5.419880 -0.548443 2.694438
H 4.430589 0.080323 -1.995142
H 3.798922 -1.717138 1.246396
H 6.715507 -0.234138 -1.637466
H 8.567214 -1.146084 -0.230059
H 8.057532 -2.343993 1.928485


