%chk=000209409.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000209409

0 1
Cl 5.621822 0.707010 -0.586764
S 1.336040 -1.865348 1.473390
N -0.224894 0.140721 -0.207438
N -2.708705 2.881992 0.420904
N 1.714037 1.283505 -1.007739
C -1.039569 1.362078 -0.566615
C -2.248017 1.454458 0.404087
C -0.824418 -1.155111 -0.086475
C -1.452725 1.384773 -2.035085
C 1.184343 0.243372 -0.277692
C -0.192008 -2.163701 0.670709
C 2.028906 -0.669092 0.411847
C -2.055825 -1.460660 -0.700060
C -1.854885 3.707382 1.327202
C -4.138860 2.964314 0.843330
C -0.768791 -3.421767 0.834240
C 3.409325 -0.554669 0.314840
C -2.641483 -2.713944 -0.518102
C -2.009044 -3.695960 0.250412
C 3.060499 1.412092 -1.069550
C 3.928472 0.505906 -0.438769
H -0.372032 2.255511 -0.378731
H -1.965379 1.071194 1.408655
H -3.077820 0.807442 0.049849
H -2.015162 2.307493 -2.244420
H -0.571819 1.377720 -2.691362
H -2.089982 0.538566 -2.319542
H -2.551904 -0.723318 -1.338308
H -0.804393 3.639768 0.996240
H -1.898697 3.427655 2.389724
H -2.155269 4.763211 1.232621
H -4.761298 2.424491 0.111915
H -4.457340 4.019347 0.818004
H -4.351759 2.565511 1.845722
H -0.258904 -4.192331 1.416254
H 4.077853 -1.259193 0.817071
H -3.600109 -2.930002 -0.990992
H -2.472463 -4.670601 0.385720
H 3.440456 2.262083 -1.652691


%chk=000209409-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000209409

0 1
Cl 5.712398 0.768003 -0.746725
S 1.383926 -1.900479 1.592325
N -0.233930 0.087174 -0.195766
N -2.706601 2.883112 0.453130
N 1.668560 1.276695 -0.976148
C -1.039760 1.312101 -0.536669
C -2.275113 1.465848 0.396899
C -0.835897 -1.203033 -0.034899
C -1.373462 1.477118 -2.036466
C 1.173010 0.222105 -0.262481
C -0.194426 -2.235604 0.709358
C 2.052401 -0.687658 0.402640
C -2.085967 -1.522413 -0.634637
C -1.876194 3.714189 1.349355
C -4.146411 3.034634 0.747076
C -0.767346 -3.514782 0.847520
C 3.441115 -0.554521 0.235227
C -2.680061 -2.790449 -0.466264
C -2.027098 -3.798017 0.274548
C 3.015151 1.449012 -1.087000
C 3.921912 0.534442 -0.525333
H -0.352089 2.141684 -0.298873
H -2.018870 1.061336 1.408039
H -3.128290 0.874681 0.021705
H -1.939533 2.418378 -2.153227
H -0.441345 1.547042 -2.620876
H -1.981542 0.653892 -2.448903
H -2.595172 -0.781467 -1.250570
H -0.811921 3.649531 1.064841
H -1.962407 3.414583 2.424660
H -2.181427 4.772014 1.260621
H -4.741515 2.478142 0.001498
H -4.426861 4.101348 0.678293
H -4.436105 2.670139 1.764996
H -0.230196 -4.283064 1.413842
H 4.130359 -1.255847 0.713483
H -3.649865 -2.990903 -0.934341
H -2.479161 -4.786696 0.400236
H 3.357931 2.329625 -1.638712


