%chk=000246324.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000246324

0 1
Cl -6.750242 0.419413 -2.630324
Cl -8.181436 1.365891 -0.034819
S -1.493878 1.442052 -0.171392
O 4.956390 1.024683 -0.829774
O 4.871437 -0.790757 0.515293
N 2.161617 -2.029492 -0.032698
N 0.511223 -0.332617 0.045259
N 1.073933 1.993025 -0.409791
C 2.983594 -2.811853 0.948260
C 1.491124 -3.086937 0.770169
C 4.023873 -3.722061 0.363437
C 1.855469 -0.667391 0.011912
C 2.840364 0.348022 -0.155110
C 2.383085 1.668262 -0.394201
C 0.190205 0.964657 -0.177082
C 4.280103 0.078382 -0.088808
C -2.371607 -0.129633 0.112973
C -3.813244 0.246320 0.072093
C 6.419361 0.972304 -0.836941
C -4.524777 0.168847 -1.136412
C -4.464729 0.678315 1.241110
C 6.961252 1.566570 0.445657
C -5.876438 0.517090 -1.158824
C -5.816237 1.027153 1.212267
C -6.521898 0.943719 0.008208
H 3.324342 -2.292659 1.862431
H 0.775892 -2.819978 1.551935
H 1.145423 -3.954211 0.196985
H 4.257664 -4.546723 1.047906
H 4.955753 -3.155924 0.181261
H 3.721257 -4.155898 -0.599348
H 3.105117 2.482683 -0.572648
H -2.065829 -0.579694 1.079823
H -2.091556 -0.879021 -0.657722
H 6.732900 -0.075901 -0.987989
H 6.640186 1.583516 -1.731536
H -4.029672 -0.155683 -2.053956
H -3.912177 0.747008 2.179266
H 8.051873 1.674509 0.407952
H 6.534778 2.557969 0.645007
H 6.723019 0.929862 1.311017
H -6.321115 1.363780 2.119453


%chk=000246324-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000246324

0 1
Cl -6.799536 0.008142 -2.703619
Cl -8.423683 0.859798 0.031197
S -1.451201 1.712329 -0.208618
O 5.119270 1.240403 -0.774587
O 4.898794 -0.943844 0.014751
N 2.109969 -1.875224 0.041135
N 0.567956 -0.134101 -0.012267
N 1.172130 2.182048 -0.483422
C 2.852879 -2.766453 0.973766
C 1.321748 -2.850495 0.822944
C 3.769838 -3.818454 0.385286
C 1.892760 -0.520874 -0.053685
C 2.922957 0.465230 -0.288166
C 2.474836 1.799233 -0.499507
C 0.280737 1.167623 -0.233639
C 4.365781 0.148053 -0.317793
C -2.322281 0.041715 0.142563
C -3.816369 0.245192 0.109895
C 6.601647 1.059696 -0.804233
C -4.534960 0.070533 -1.098973
C -4.528069 0.614708 1.280129
C 7.220530 1.389031 0.557370
C -5.931369 0.254205 -1.132767
C -5.925136 0.801099 1.246698
C -6.629617 0.619060 0.038105
H 3.220679 -2.276078 1.884549
H 0.682373 -2.447051 1.617031
H 0.894573 -3.684094 0.254693
H 3.945300 -4.623613 1.122370
H 4.733642 -3.356640 0.118364
H 3.326924 -4.263574 -0.522611
H 3.212099 2.583762 -0.687079
H -1.961826 -0.297365 1.125404
H -1.963624 -0.660753 -0.624255
H 6.823298 0.021094 -1.105868
H 6.929012 1.761538 -1.587840
H -4.010167 -0.206433 -2.018721
H -3.988589 0.760713 2.222064
H 8.323038 1.338596 0.486385
H 6.942823 2.406926 0.881220
H 6.891980 0.666853 1.323368
H -6.474751 1.085065 2.148663


