%chk=000296401.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000296401

0 1
Cl 4.495677 1.918816 -0.003636
S -0.837013 1.017408 0.001423
O 0.241383 2.961699 0.000356
O 2.309782 3.623941 -0.001696
O 0.574915 -3.680540 -0.005554
N 1.015103 -0.933598 -0.000329
N 2.679170 -2.688162 -0.002176
N 3.425431 -0.459626 -0.002785
N 1.462111 2.755181 -0.000854
C -1.845928 -0.503895 0.002544
C -3.248161 0.000695 0.001699
C 0.781688 0.400489 -0.000135
C 1.837703 1.361781 -0.001200
C -3.913061 0.239493 -1.212552
C -3.913592 0.242088 1.215144
C 2.328761 -1.338143 -0.001764
C -5.227659 0.712236 -1.209653
C -5.228191 0.714826 1.210657
C 3.163728 0.858959 -0.002490
C -5.887728 0.950556 0.000104
C 1.766512 -3.815838 -0.003130
C 2.507482 -5.118511 -0.001043
H -1.609613 -1.138129 0.880623
H -1.609178 -1.139881 -0.874202
H -3.404354 0.058499 -2.158017
H -3.405311 0.063126 2.161221
H -5.738607 0.896844 -2.153398
H -5.739550 0.901456 2.153781
H -6.911227 1.319663 -0.000516
H 3.696030 -2.872614 -0.002267
H 3.142642 -5.250752 -0.889427
H 1.788711 -5.958199 -0.000221
H 3.142044 -5.248466 0.888094


%chk=000296401-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000296401

0 1
Cl 4.948942 1.665278 -0.003712
S -0.786102 1.305687 0.001757
O 0.737999 3.450064 -0.000083
O 2.997097 3.734715 -0.002592
O 0.247795 -3.452496 -0.001544
N 1.025000 -0.678044 0.000221
N 2.449916 -2.593795 -0.001514
N 3.439696 -0.500500 -0.002363
N 1.952549 2.981920 -0.001803
C -1.741062 -0.387016 0.003561
C -3.214421 -0.070002 0.002201
C 0.908502 0.680783 0.000062
C 2.087746 1.523566 -0.001425
C -3.920133 0.080665 -1.220430
C -3.921777 0.084190 1.223440
C 2.260448 -1.212800 -0.001166
C -5.302177 0.371268 -1.223089
C -5.303829 0.374804 1.223393
C 3.343705 0.835046 -0.002413
C -5.998168 0.519306 -0.000526
C 1.485814 -3.641685 -0.001597
C 2.135885 -5.023137 -0.002450
H -1.403208 -0.935148 0.894445
H -1.402035 -0.937870 -0.885175
H -3.383561 -0.033976 -2.169990
H -3.386498 -0.027702 2.174061
H -5.834868 0.480966 -2.174203
H -5.837798 0.487258 2.173468
H -7.070470 0.744508 -0.001571
H 3.440620 -2.856572 -0.002189
H 2.768504 -5.166230 -0.897991
H 1.344281 -5.785417 -0.001274
H 2.771306 -5.166232 0.891092


