%chk=000276427.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000276427

0 1
Cl 0.158824 2.669381 1.339339
S -6.288695 -1.655005 -2.185313
F -5.439349 -2.397404 -3.298266
O -0.049732 0.581549 3.208779
O -2.147106 -2.306539 3.171770
O -7.191807 -2.669028 -1.730343
O -6.728669 -0.464459 -2.851153
N 4.319819 0.095158 -0.266595
N 5.320565 -0.786011 -2.388926
N 6.721672 -0.093495 -0.505052
N 5.830481 0.522569 1.583733
N 7.654733 -1.140922 -2.423137
N -2.176459 -0.365306 1.899379
C 4.074116 -0.405857 -1.720858
C 3.156222 -1.633376 -1.664073
C 3.433486 0.758029 -2.490962
C 3.198266 0.170272 0.636313
C 5.636869 0.168596 0.231150
C 6.496439 -0.658144 -1.799707
C 2.340428 1.282934 0.562264
C 2.966027 -0.853450 1.576000
C 1.246368 1.347321 1.420774
C 1.878827 -0.775674 2.445451
C 1.023761 0.329425 2.368482
C -3.160933 -0.699860 0.925730
C -3.442618 0.243140 -0.107143
C -0.678789 -0.542695 3.854337
C -5.100872 -1.300022 -1.004577
C -4.414112 -0.078968 -1.055110
C -3.854482 -1.922360 0.974036
C -1.735051 -1.188064 2.949506
C -4.818840 -2.216186 0.012744
C -2.723209 1.548398 -0.205155
H 2.157382 -1.400057 -1.287071
H 3.042177 -2.054609 -2.675628
H 3.582371 -2.435062 -1.049195
H 3.402537 0.514166 -3.564678
H 2.408884 0.959566 -2.169729
H 4.018034 1.680454 -2.398999
H 2.526695 2.081526 -0.160786
H 3.647656 -1.707260 1.626902
H 1.703936 -1.566240 3.175718
H 6.799901 0.694651 1.847463
H 5.183414 1.183921 1.993055
H 7.604991 -1.292826 -3.421862
H 8.539047 -0.787356 -2.083667
H -1.158003 -0.065454 4.737519
H 0.053740 -1.294652 4.202370
H -4.648832 0.640408 -1.851099
H -1.736603 0.567636 1.813959
H -3.641080 -2.651152 1.767217
H -5.359590 -3.169735 0.066153
H -1.664196 1.406776 -0.472213
H -3.151562 2.203474 -0.979035
H -2.763877 2.122081 0.732491


%chk=000276427-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000276427

0 1
Cl 0.688408 3.215093 1.705021
S -6.182570 -1.985733 -2.269770
F -4.975285 -2.729529 -3.476004
O -0.121357 0.812665 3.205097
O -2.078741 -2.266446 3.448388
O -7.123237 -3.197154 -1.790653
O -6.764700 -0.674980 -2.997149
N 4.290121 -0.078746 -0.279882
N 5.204335 -1.076032 -2.360201
N 6.673271 -0.217467 -0.589652
N 5.816587 0.604952 1.414566
N 7.517030 -1.464550 -2.369861
N -2.234682 -0.384831 2.018730
C 4.078284 -0.320048 -1.800493
C 2.794042 -1.144465 -2.009795
C 3.971561 1.063532 -2.501181
C 3.180587 0.123695 0.607519
C 5.603890 0.100395 0.146871
C 6.391807 -0.905853 -1.791992
C 2.573957 1.404975 0.729062
C 2.662303 -0.953687 1.367722
C 1.479546 1.580972 1.589327
C 1.562498 -0.769431 2.231256
C 0.962621 0.507138 2.358018
C -3.164044 -0.794200 1.032056
C -3.461656 0.141677 -0.015401
C -0.749681 -0.281676 3.960515
C -4.969016 -1.517833 -0.940509
C -4.378582 -0.244951 -1.013369
C -3.781685 -2.074733 1.074663
C -1.746560 -1.096662 3.108190
C -4.694688 -2.449772 0.071600
C -2.808135 1.510733 -0.061738
H 1.890787 -0.612491 -1.663202
H 2.698222 -1.343146 -3.089586
H 2.871163 -2.116333 -1.493823
H 3.891748 0.907377 -3.590766
H 3.080260 1.623938 -2.163020
H 4.878323 1.663318 -2.305317
H 2.959087 2.250072 0.151560
H 3.124146 -1.940400 1.268816
H 1.174442 -1.627610 2.787368
H 6.782970 0.660181 1.726399
H 5.061237 0.960824 1.993263
H 7.424877 -1.974623 -3.243322
H 8.403982 -1.398766 -1.880093
H -1.297622 0.226254 4.772481
H -0.012812 -0.967444 4.411503
H -4.636387 0.440281 -1.827174
H -1.831497 0.554401 1.919788
H -3.536132 -2.760364 1.887546
H -5.181830 -3.429200 0.088629
H -1.704838 1.444200 -0.134418
H -3.154667 2.079518 -0.938752
H -3.048485 2.117167 0.833470


