%chk=000217460.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000217460

0 1
Cl -3.827704 3.714670 -0.430828
S -4.144636 -0.620220 -0.386782
N 0.087190 -0.708522 2.046192
N 2.001256 0.325126 -1.627860
C 1.560014 -1.273668 0.165605
C 1.837097 -2.623347 0.764286
C 3.035984 -3.349455 0.144281
C 3.003656 -3.251573 -1.383130
C 3.123343 -1.789446 -1.817949
C 2.186169 -0.876132 -1.069985
C 0.703000 -0.373250 0.790930
C 0.504081 0.939816 0.220462
C 1.180327 1.244523 -0.992313
C -0.948747 -1.779059 2.011364
C -2.350516 -1.309382 1.577905
C -0.336867 1.941523 0.796488
C 1.011222 2.530962 -1.606794
C -2.449757 -1.081126 0.078453
C -0.490740 3.163889 0.192314
C 0.193092 3.462321 -1.023803
C -4.279984 1.121487 0.108472
C -3.613263 1.992552 -0.928608
H 2.005155 -2.508062 1.859510
H 0.922932 -3.251743 0.665103
H 3.039003 -4.408221 0.463395
H 3.979055 -2.912585 0.528789
H 3.825085 -3.844800 -1.826973
H 2.064097 -3.688930 -1.773290
H 2.949718 -1.694691 -2.912118
H 4.162927 -1.424101 -1.660105
H -0.273176 0.123749 2.532156
H -0.604818 -2.617530 1.361335
H -1.000951 -2.191405 3.046705
H -3.093285 -2.073111 1.895743
H -2.630103 -0.391694 2.133181
H -0.855399 1.723646 1.730355
H 1.550777 2.730362 -2.534188
H -1.728552 -0.317378 -0.271866
H -2.219700 -2.006008 -0.490184
H -1.140318 3.925348 0.625486
H 0.050135 4.444155 -1.475521
H -5.366627 1.343404 0.190427
H -3.858982 1.286352 1.118677
H -4.063487 1.887040 -1.935144
H -2.521101 1.817512 -1.010572


%chk=000217460-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000217460

0 1
Cl -4.081714 3.908511 0.404910
S -4.734135 -0.563292 -0.115539
N -0.203437 -0.685448 1.568454
N 2.441988 0.316966 -1.647127
C 1.606279 -1.319016 0.001672
C 1.803415 -2.678390 0.667568
C 3.195137 -3.287426 0.391409
C 3.459675 -3.294973 -1.128605
C 3.526700 -1.846632 -1.654179
C 2.459879 -0.914747 -1.086163
C 0.659441 -0.383927 0.496391
C 0.616247 0.949126 -0.083342
C 1.546765 1.247614 -1.149589
C -1.063427 -1.882046 1.675358
C -2.570666 -1.548844 1.501680
C -0.304969 1.970424 0.323200
C 1.547200 2.554918 -1.736018
C -2.916359 -1.083187 0.077104
C -0.289916 3.237946 -0.269811
C 0.651145 3.535086 -1.304166
C -4.657274 1.172679 0.647004
C -4.200235 2.178115 -0.401436
H 1.628963 -2.569035 1.756146
H 1.048559 -3.407943 0.304514
H 3.238427 -4.312460 0.806095
H 3.980166 -2.693933 0.901101
H 4.402290 -3.822840 -1.365802
H 2.644015 -3.850451 -1.634407
H 3.457299 -1.810918 -2.757022
H 4.511739 -1.404061 -1.403929
H -0.554718 0.123011 2.085938
H -0.761108 -2.603217 0.900177
H -0.918765 -2.375228 2.657719
H -3.166439 -2.447949 1.750991
H -2.859710 -0.772044 2.239476
H -1.050634 1.774922 1.105365
H 2.273741 2.742751 -2.532760
H -2.283817 -0.239288 -0.245955
H -2.787483 -1.899656 -0.654716
H -1.012432 3.996393 0.050380
H 0.658357 4.530648 -1.761251
H -5.675970 1.392322 1.003613
H -3.979279 1.149909 1.516152
H -4.919018 2.290500 -1.224880
H -3.189323 1.978109 -0.786118


