%chk=000295831.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000295831

0 1
Cl 5.184518 -0.825240 -1.175242
S -1.903979 1.766451 -0.014677
N 3.079615 0.761336 0.231252
N 0.732626 1.270943 0.120565
N 0.005963 3.582933 -0.133905
C -3.264761 -0.470461 0.012716
C -1.838461 -0.049581 0.133331
C 2.925798 -0.655356 0.338306
C 2.045487 1.691475 0.107400
C -3.805268 -0.781057 -1.245851
C -4.074270 -0.559031 1.157012
C 3.886929 -1.499072 -0.261415
C 1.881354 -1.244471 1.074795
C -0.215541 2.242394 -0.005862
C 2.369431 3.071650 -0.024768
C -5.139755 -1.179804 -1.354692
C -5.408100 -0.958304 1.040828
C 3.814801 -2.886594 -0.135513
C 1.806685 -2.632973 1.191631
C -5.942891 -1.270222 -0.213203
C 2.766979 -3.455571 0.592381
C 1.311299 3.975995 -0.138755
H -1.378003 -0.344669 1.096385
H -1.187666 -0.483896 -0.653799
H 4.031812 1.111918 0.087820
H -3.186502 -0.706468 -2.139170
H -3.665935 -0.311518 2.135662
H 1.126086 -0.614044 1.550850
H 3.396516 3.416022 -0.035437
H -5.555366 -1.418636 -2.332556
H -6.032911 -1.024271 1.930267
H 4.569480 -3.517633 -0.607586
H 0.990497 -3.079512 1.761003
H -6.982231 -1.580450 -0.300994
H 2.699443 -4.537829 0.691539
H 1.487621 5.054845 -0.240617


%chk=000295831-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000295831

0 1
Cl 5.730942 -0.580317 0.301330
S -1.962953 2.022936 -0.115156
N 3.011722 0.697116 0.123997
N 0.706114 1.352601 0.008572
N 0.108590 3.714840 -0.185107
C -3.367760 -0.396620 0.054641
C -1.946411 0.111678 0.038899
C 2.913496 -0.706484 0.228702
C 2.035287 1.682465 0.021442
C -4.025521 -0.739033 -1.155385
C -4.069949 -0.539812 1.279577
C 4.115673 -1.466618 0.322594
C 1.688614 -1.431480 0.248331
C -0.180979 2.384983 -0.093687
C 2.452230 3.048138 -0.069738
C -5.353506 -1.219987 -1.141462
C -5.397831 -1.020882 1.296296
C 4.128278 -2.864106 0.431243
C 1.689735 -2.836853 0.357244
C -6.043468 -1.363008 0.085084
C 2.898579 -3.562657 0.449233
C 1.444201 4.019224 -0.170847
H -1.403941 -0.118334 0.969104
H -1.372146 -0.263826 -0.822291
H 3.976210 1.045568 0.126646
H -3.494086 -0.625991 -2.108080
H -3.572982 -0.270598 2.219420
H 0.763334 -0.860439 0.176435
H 3.509383 3.328866 -0.061208
H -5.848648 -1.482592 -2.082981
H -5.927270 -1.128401 2.249549
H 5.081184 -3.396397 0.500766
H 0.731842 -3.367840 0.369998
H -7.073549 -1.736464 0.096766
H 2.894980 -4.653635 0.533678
H 1.691905 5.083258 -0.243905


