%chk=000214956.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000214956

0 1
Cl 3.841358 -5.059700 -1.027908
S 2.368952 0.355310 1.673672
N 0.024891 -0.253940 -0.533787
N -2.846160 -0.417981 -0.074468
N -6.505781 0.379344 0.406076
C 1.296383 -0.538565 -1.286432
C -0.619123 -1.518000 -0.039102
C -0.954127 0.484112 -1.402766
C -1.870370 -1.161819 0.788883
C -2.200210 0.842316 -0.568997
C 2.074854 0.762275 -1.616350
C 2.211679 -1.445882 -0.486111
C -4.107919 -0.119266 0.679298
C 1.869378 1.900087 -0.661578
C -5.247683 0.062945 -0.347597
C 2.764810 -1.072088 0.741659
C 2.554471 -2.694487 -1.037018
C 1.972285 1.778526 0.725295
C 1.569657 3.168870 -1.202447
C 3.659698 -1.919068 1.419160
C 3.432314 -3.526625 -0.347551
C 1.762956 2.887055 1.565651
C 3.996733 -3.158766 0.878230
C 1.371524 4.272307 -0.376813
C 1.463902 4.130670 1.014476
C -7.465294 1.125539 -0.462356
C -7.146524 -0.865682 0.926363
H 1.069920 -1.040755 -2.270264
H -0.898017 -2.209280 -0.863506
H 0.099273 -2.053304 0.619104
H -1.257960 -0.100031 -2.298531
H -0.480541 1.424002 -1.757434
H -2.353543 -2.099321 1.136676
H -1.565297 -0.586038 1.690893
H -1.909406 1.530780 0.255845
H -2.928958 1.382534 -1.209456
H 1.805220 1.076677 -2.646621
H 3.163633 0.532990 -1.670771
H -4.348270 -0.970623 1.351530
H -4.037897 0.777972 1.331148
H -5.001860 0.906141 -1.027799
H -5.325423 -0.839483 -0.990143
H 2.135391 -3.011470 -1.992307
H 1.492990 3.287666 -2.281957
H 4.100394 -1.613121 2.372189
H 1.833183 2.785296 2.650957
H 4.687012 -3.824944 1.395052
H 1.143298 5.244538 -0.809526
H -8.365606 1.368525 0.124624
H -7.780425 0.592922 -1.371081
H -7.008150 2.083213 -0.758502
H -7.489855 -1.568089 0.152988
H -8.010078 -0.587443 1.551133
H -6.432147 -1.394296 1.577594
H 1.303163 4.990151 1.662283


%chk=000214956-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000214956

0 1
Cl 3.978343 -5.090082 -1.259629
S 2.328853 0.335229 1.817841
N -0.014665 -0.292820 -0.528972
N -2.888723 -0.453544 -0.061043
N -6.593134 0.421369 0.264465
C 1.266751 -0.527178 -1.245935
C -0.659031 -1.544442 -0.051712
C -0.979099 0.493468 -1.341249
C -1.922220 -1.222011 0.760776
C -2.249276 0.798627 -0.531574
C 1.993247 0.812786 -1.605322
C 2.212734 -1.445838 -0.476200
C -4.184080 -0.225694 0.626181
C 1.890962 1.957220 -0.604628
C -5.332627 -0.013263 -0.384714
C 2.775540 -1.109999 0.783872
C 2.606166 -2.663424 -1.086076
C 2.045933 1.847383 0.802542
C 1.651807 3.257631 -1.131711
C 3.689092 -1.993167 1.414612
C 3.507952 -3.527818 -0.442152
C 1.954811 2.998301 1.630542
C 4.058254 -3.214548 0.813465
C 1.565412 4.405556 -0.319562
C 1.715511 4.271337 1.079133
C -7.579032 0.907575 -0.722194
C -7.175924 -0.605861 1.151842
H 1.069365 -1.040417 -2.225673
H -0.940520 -2.210329 -0.907142
H 0.050467 -2.093152 0.590951
H -1.264988 -0.061393 -2.271926
H -0.515732 1.450836 -1.633772
H -2.398328 -2.168752 1.077198
H -1.618136 -0.659418 1.679369
H -1.973419 1.461531 0.327504
H -2.956053 1.354248 -1.174182
H 1.600895 1.179372 -2.571527
H 3.056736 0.564190 -1.789689
H -4.392628 -1.119630 1.243155
H -4.152437 0.651913 1.317663
H -5.039284 0.779262 -1.098600
H -5.461034 -0.954087 -0.978902
H 2.189501 -2.932503 -2.061956
H 1.533164 3.358329 -2.218248
H 4.125817 -1.717041 2.380096
H 2.079294 2.892435 2.714602
H 4.764694 -3.889468 1.304303
H 1.382646 5.387236 -0.769033
H -8.467961 1.302028 -0.197310
H -7.924484 0.115494 -1.435755
H -7.138845 1.730262 -1.313793
H -7.429962 -1.557511 0.616253
H -8.102362 -0.213298 1.607954
H -6.478446 -0.849306 1.971081
H 1.651180 5.145075 1.736384


