%chk=000269839.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000269839

0 1
Cl 1.028310 3.523924 -0.935587
O -1.404246 -0.120845 -1.154733
O -0.909355 1.010200 2.006488
O -4.027780 1.019796 0.648486
O -3.049198 -2.730167 -1.586552
N 0.538037 0.911327 -0.363788
N 2.758145 1.553825 -0.296846
C -0.912988 1.069181 -0.506129
C -1.680775 1.223248 0.847585
C -2.853893 0.210852 0.758228
C -2.661289 -0.563287 -0.563721
C -2.553691 -2.085219 -0.415124
C 1.285241 -0.239281 -0.012635
C 1.505439 1.957026 -0.522690
C 2.662641 0.181084 0.028124
C 0.926542 -1.568519 0.259663
C 3.676152 -0.735067 0.362066
C 1.945268 -2.449404 0.588322
C 3.301081 -2.038855 0.643688
H -1.133248 1.915619 -1.207500
H -2.067486 2.264606 0.991035
H -2.909401 -0.430108 1.660358
H -3.446959 -0.287506 -1.309193
H -3.210877 -2.481735 0.382505
H -1.498434 -2.392614 -0.228483
H -0.354223 0.196758 1.945303
H -4.819235 0.529646 0.957274
H -0.112668 -1.893922 0.175268
H -2.470085 -2.525111 -2.357168
H 4.715038 -0.407125 0.390768
H 1.708423 -3.491372 0.806072
H 4.059214 -2.775553 0.908717


%chk=000269839-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000269839

0 1
Cl 1.050936 3.267844 -1.783633
O -1.449461 -0.231554 -1.214128
O -0.670382 1.202585 1.971891
O -3.814756 0.440453 1.513628
O -3.251373 -2.183892 -2.298749
N 0.572892 0.822620 -0.541070
N 2.793357 1.401985 -0.748856
C -0.870199 0.970429 -0.578964
C -1.568143 1.103802 0.840907
C -2.591662 -0.062628 0.895519
C -2.784761 -0.458552 -0.588467
C -3.137002 -1.919449 -0.867189
C 1.313350 -0.237502 0.037819
C 1.539548 1.749002 -0.983225
C 2.690702 0.144268 -0.101356
C 0.932748 -1.462710 0.627158
C 3.716701 -0.694801 0.382052
C 1.973810 -2.286947 1.110018
C 3.341948 -1.909555 0.993526
H -1.089674 1.860709 -1.195539
H -2.141874 2.044363 0.875097
H -2.162945 -0.912711 1.470370
H -3.531170 0.217959 -1.053384
H -4.128090 -2.161904 -0.445341
H -2.371525 -2.575435 -0.395549
H -0.033693 0.439980 1.988486
H -4.378528 -0.310940 1.824015
H -0.108562 -1.793345 0.667996
H -2.409960 -1.883234 -2.729942
H 4.764690 -0.400192 0.276398
H 1.721029 -3.247702 1.571465
H 4.115749 -2.581542 1.378848


