%chk=000259520.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000259520

0 1
Cl 7.044529 0.096343 -0.248339
S 0.911063 -0.393443 0.797428
N -0.774097 -2.751194 -0.983645
C -1.386734 -0.422730 -0.471741
C -2.410153 0.522470 -0.116779
C -3.741235 0.074028 0.094327
C -1.715594 -1.777329 -0.577620
C 0.002233 0.044963 -0.731763
C -4.044741 -1.318064 -0.043866
C -2.140204 1.922003 0.035473
C -3.068585 -2.218331 -0.364351
C -4.761705 1.011957 0.443189
C -3.136520 2.803276 0.373486
C -4.469045 2.346089 0.579809
C 2.617736 -0.225615 0.413009
C 3.095984 0.501102 -0.678649
C 3.496141 -0.851088 1.309692
C 4.476235 0.601775 -0.889725
C 4.873713 -0.749474 1.108666
C 5.342241 -0.025206 0.007332
H 0.057044 1.139090 -0.905955
H 0.450912 -0.440609 -1.620027
H -5.072880 -1.646302 0.115415
H -1.119784 2.277404 -0.116069
H -3.300798 -3.276053 -0.473250
H -5.775740 0.645451 0.598749
H -2.923365 3.865269 0.490850
H -5.239050 3.066709 0.845691
H 0.198189 -2.560899 -0.771962
H -1.014958 -3.710441 -0.773429
H 2.419015 1.000071 -1.370171
H 3.115500 -1.414841 2.163520
H 4.866809 1.163308 -1.738345
H 5.572746 -1.226389 1.795851


%chk=000259520-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000259520

0 1
Cl 7.219547 0.295058 -0.611430
S 1.026781 -0.575970 1.068441
N -0.833533 -2.794163 -0.720887
C -1.443088 -0.454762 -0.329951
C -2.464134 0.524435 -0.037906
C -3.860269 0.127038 -0.055628
C -1.808648 -1.813171 -0.525163
C -0.000344 -0.074490 -0.492891
C -4.189308 -1.241007 -0.334793
C -2.168458 1.896392 0.271702
C -3.197473 -2.188932 -0.548185
C -4.882021 1.094635 0.206392
C -3.186948 2.819460 0.528862
C -4.559404 2.423694 0.490993
C 2.756511 -0.305990 0.512044
C 3.106938 0.342838 -0.697310
C 3.783276 -0.766334 1.377861
C 4.465960 0.524708 -1.043327
C 5.141370 -0.582671 1.043048
C 5.464485 0.060357 -0.168740
H 0.139445 1.005872 -0.638350
H 0.457126 -0.622378 -1.336023
H -5.244928 -1.536899 -0.358201
H -1.127593 2.229471 0.338194
H -3.460912 -3.238160 -0.729937
H -5.929793 0.770779 0.183650
H -2.930639 3.856995 0.771421
H -5.346697 3.157671 0.692971
H 0.107781 -2.641869 -0.354696
H -1.123222 -3.757267 -0.875044
H 2.341999 0.719512 -1.382115
H 3.526720 -1.269463 2.316543
H 4.734790 1.024996 -1.978236
H 5.929587 -0.937086 1.713493


