%chk=000216252.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000216252

0 1
Cl 3.221373 -3.332406 -0.052637
O -3.655773 0.068121 1.810013
O -4.787567 1.698967 -0.709065
O 6.059234 0.692204 1.146801
C -2.252321 0.307396 -0.246950
C -1.367621 -0.899599 0.199198
C 0.038757 -0.799946 -0.403240
C 0.698692 0.498476 0.140000
C -3.622984 -0.117747 0.380282
C 2.155499 0.680236 -0.401491
C -1.633543 1.594420 0.318763
C -0.176272 1.738601 -0.149964
C -2.241153 -2.127418 -0.115371
C -3.683980 -1.652994 0.182695
C 0.891995 -2.015122 -0.010040
C -2.410151 0.418203 -1.768150
C 2.980063 -0.591748 -0.152281
C 2.302028 -1.870818 -0.575164
C 2.786152 1.880768 0.357705
C 2.179251 0.946209 -1.916831
C -4.875884 0.657209 -0.100897
C 4.297788 1.980406 0.181542
C 4.237098 -0.557599 0.307542
C 4.971471 0.694931 0.613131
C -6.191358 0.072273 0.308919
H -1.264335 -0.854553 1.316759
H -0.031961 -0.745613 -1.515913
H 0.776444 0.390397 1.252427
H -1.684905 1.591930 1.426311
H -2.221732 2.474975 -0.012685
H -0.170466 1.954750 -1.237419
H 0.266422 2.629536 0.336164
H -1.966728 -2.993592 0.507488
H -2.133825 -2.447108 -1.164714
H -4.371811 -1.933020 -0.629031
H -4.069798 -2.118668 1.110493
H 0.426699 -2.950445 -0.380851
H 0.929480 -2.126418 1.093683
H -2.888538 -0.463521 -2.204578
H -3.025093 1.292137 -2.034947
H -1.441369 0.541344 -2.264859
H 2.294064 -1.915663 -1.695436
H 2.554879 1.795509 1.439772
H 2.313197 2.824331 0.022016
H 1.600872 0.200532 -2.473085
H 1.756610 1.928293 -2.159109
H 3.203162 0.932397 -2.309472
H -3.165463 0.882931 2.068867
H 4.705887 2.834253 0.760589
H 4.567863 2.190342 -0.873739
H 4.839475 -1.453634 0.492370
H -6.450574 -0.813917 -0.283688
H -6.173009 -0.235768 1.367487
H -7.008939 0.797341 0.183186


%chk=000216252-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000216252

0 1
Cl 3.308818 -3.433211 -0.053808
O -3.566535 -0.016326 1.925759
O -4.822452 1.872252 -0.328940
O 6.108440 0.685147 1.339331
C -2.289697 0.314193 -0.247881
C -1.378720 -0.894403 0.145003
C 0.042650 -0.799819 -0.445636
C 0.707061 0.526766 0.038682
C -3.631955 -0.134966 0.431117
C 2.199720 0.702670 -0.459230
C -1.633499 1.612323 0.280963
C -0.187641 1.763173 -0.264154
C -2.249059 -2.135031 -0.172043
C -3.706101 -1.668262 0.161059
C 0.899876 -2.013851 -0.012012
C -2.524904 0.415799 -1.782391
C 3.004533 -0.577909 -0.116380
C 2.331565 -1.869799 -0.545396
C 2.820832 1.924530 0.290173
C 2.277626 0.936466 -2.002404
C -4.903234 0.682139 0.084543
C 4.359094 1.991738 0.227819
C 4.239044 -0.544298 0.473408
C 4.985933 0.702862 0.749969
C -6.246078 0.028848 0.370844
H -1.272924 -0.850244 1.251469
H -0.023995 -0.800381 -1.554257
H 0.771615 0.440219 1.148620
H -1.574863 1.579329 1.389815
H -2.236528 2.495246 0.001234
H -0.228191 1.944992 -1.354513
H 0.258563 2.668117 0.186988
H -1.959818 -3.018074 0.423031
H -2.160376 -2.413530 -1.239598
H -4.400396 -1.896747 -0.666590
H -4.096928 -2.160958 1.067547
H 0.464461 -2.954238 -0.393442
H 0.926946 -2.080719 1.093003
H -3.063765 -0.462359 -2.181767
H -3.122352 1.313669 -2.010864
H -1.573814 0.490764 -2.335341
H 2.331956 -1.937563 -1.648960
H 2.514074 1.874999 1.354639
H 2.398609 2.858465 -0.123862
H 1.769062 0.140528 -2.575045
H 1.809955 1.898487 -2.276504
H 3.328691 0.965431 -2.340393
H -3.391222 0.934114 2.155725
H 4.751701 2.842123 0.812421
H 4.702845 2.138475 -0.816631
H 4.756000 -1.476660 0.724705
H -6.476252 -0.723447 -0.408000
H -6.219524 -0.499252 1.339870
H -7.041541 0.790282 0.370898


