%chk=000256558.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000256558

0 1
Cl 3.459874 0.083544 2.147938
S -2.491606 2.825113 -1.967157
N 1.597408 0.524111 -0.115325
N -0.790959 2.118100 -0.081213
C 0.441770 0.139197 0.761915
C 1.122264 1.197134 -1.367468
C -0.313965 1.426578 1.151258
C 0.350396 2.474123 -0.975837
C 2.526291 -0.560966 -0.328014
C -2.080065 2.160570 -0.490057
C -3.188353 1.673908 0.403404
C 3.473540 -0.824674 0.684111
C 2.588191 -1.321573 -1.510363
C -3.187644 0.180810 0.597797
C 4.449758 -1.810403 0.530640
C 3.569582 -2.302361 -1.669492
C 4.497752 -2.550974 -0.653710
C -3.048647 -0.675880 -0.505203
C -3.350781 -0.359436 1.882428
C -3.058275 -2.059957 -0.319540
C -3.362220 -1.745972 2.060246
C -3.211221 -2.598448 0.962611
H -0.250524 -0.579674 0.267950
H 0.825775 -0.357997 1.679678
H 0.479442 0.547129 -2.001178
H 2.012015 1.479276 -1.973798
H 0.371433 2.120040 1.696423
H -1.148236 1.187871 1.841730
H 0.004698 3.008286 -1.893859
H 1.014228 3.179553 -0.423841
H -3.170635 2.218149 1.373206
H -4.177312 1.962924 -0.044467
H 1.867238 -1.153193 -2.308935
H 5.172402 -1.993856 1.327062
H 3.607817 -2.880590 -2.592879
H 5.259242 -3.318369 -0.783008
H -2.947632 -0.259248 -1.509504
H -3.481594 0.293839 2.742402
H -2.952969 -2.721800 -1.178550
H -3.492732 -2.162228 3.058295
H -3.219946 -3.677360 1.103804


%chk=000256558-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000256558

0 1
Cl 3.352692 0.004985 2.333236
S -2.634965 2.841926 -1.938055
N 1.623240 0.298933 -0.279596
N -0.762731 1.908185 -0.174769
C 0.536585 -0.024672 0.678356
C 1.105354 0.943027 -1.505843
C -0.244197 1.252242 1.052952
C 0.321925 2.219273 -1.135198
C 2.742468 -0.565861 -0.381913
C -2.085651 2.151895 -0.453856
C -3.120039 1.769562 0.610369
C 3.607670 -0.836287 0.721032
C 3.099977 -1.179618 -1.621217
C -3.367178 0.260957 0.738803
C 4.722946 -1.685346 0.622271
C 4.231257 -2.011716 -1.742062
C 5.043045 -2.283038 -0.618544
C -3.509177 -0.551635 -0.415492
C -3.499329 -0.338730 2.016755
C -3.773396 -1.933777 -0.290868
C -3.765519 -1.721745 2.143298
C -3.901047 -2.525246 0.988187
H -0.169601 -0.759966 0.229420
H 0.961519 -0.467517 1.591405
H 0.436278 0.264868 -2.085400
H 1.953554 1.228805 -2.151644
H 0.438137 1.955163 1.569343
H -1.067403 0.986408 1.728137
H -0.137989 2.671248 -2.030071
H 1.009824 2.946681 -0.662885
H -2.840401 2.187989 1.597564
H -4.056808 2.267008 0.307743
H 2.461816 -1.013751 -2.494808
H 5.351113 -1.851736 1.502618
H 4.466729 -2.462060 -2.712485
H 5.917767 -2.935580 -0.699669
H -3.420302 -0.090989 -1.406784
H -3.403116 0.280349 2.918524
H -3.885333 -2.548811 -1.191193
H -3.866974 -2.168862 3.138753
H -4.106940 -3.597264 1.083086


