%chk=000299947.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000299947

0 1
Br 7.279019 0.948188 0.092023
Cl -6.059600 -4.551495 -1.287016
S 1.819811 -2.106219 -1.251989
O -0.647018 -2.480878 -0.517815
N 0.301302 1.339382 1.456451
C -0.158845 2.006201 2.717244
C 0.258584 2.296073 0.301404
C 1.682998 0.774990 1.621705
C -1.652607 2.336282 2.567833
C -1.048338 3.044075 0.220005
C -1.944627 3.091663 1.302679
C 1.980961 -0.206010 0.526491
C 3.327449 -0.368104 -0.021815
C 1.089250 -1.060120 -0.039705
C -1.355181 3.729810 -0.965470
C -3.135139 3.825507 1.187443
C 3.391284 -1.379372 -1.011346
C -0.358712 -1.232658 0.197122
C -2.541671 4.457495 -1.072524
C -3.432077 4.506224 0.005456
C 4.497212 0.335296 0.314105
C 4.578868 -1.704524 -1.666858
C 5.673758 0.003028 -0.347027
C 5.734221 -1.002626 -1.329056
C -1.959019 -2.870305 -0.640743
C -3.063330 -2.174767 -0.131279
C -2.100804 -4.084244 -1.350847
C -4.341669 -2.704978 -0.337703
C -3.375064 -4.600053 -1.547823
C -4.480581 -3.902697 -1.037675
H -0.015794 1.304115 3.566408
H 0.413303 2.928771 2.955280
H 1.091609 3.037883 0.325437
H 0.405905 1.687507 -0.623485
H 2.471080 1.561100 1.667978
H 1.727136 0.228579 2.596043
H -2.242339 1.392939 2.558285
H -1.994457 2.903471 3.456285
H -0.667064 3.694959 -1.808663
H -3.832098 3.864336 2.022420
H -0.609926 -1.368573 1.267222
H -0.960707 -0.405721 -0.233038
H -2.773773 4.985915 -1.995227
H -4.356967 5.073964 -0.077592
H 4.472290 1.116799 1.072904
H 4.605814 -2.487290 -2.424526
H 6.679005 -1.232938 -1.823852
H -2.949819 -1.241014 0.411316
H -1.213233 -4.589534 -1.727651
H -5.219131 -2.183111 0.046473
H -3.517867 -5.534919 -2.091784


%chk=000299947-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000299947

0 1
Br 6.925491 1.391348 0.558781
Cl -6.234301 -5.347793 -0.403832
S 1.834741 -1.814547 -2.016339
O -0.711610 -2.922418 -0.497873
N 0.069202 1.175814 1.314271
C -0.544900 1.632903 2.588956
C 0.471722 2.332926 0.476368
C 1.203584 0.239947 1.542609
C -1.885164 2.330290 2.294436
C -0.638486 3.363700 0.322324
C -1.750026 3.386874 1.205344
C 1.720592 -0.391154 0.260862
C 3.095670 -0.273186 -0.212834
C 0.932988 -1.163105 -0.576522
C -0.538396 4.339650 -0.699910
C -2.737914 4.391405 1.045775
C 3.330275 -0.984389 -1.433627
C -0.528618 -1.451843 -0.453290
C -1.526303 5.334591 -0.853666
C -2.634132 5.361243 0.026408
C 4.178681 0.434698 0.379948
C 4.594007 -1.009034 -2.055517
C 5.428942 0.409158 -0.254334
C 5.658869 -0.300472 -1.460617
C -2.031491 -3.401679 -0.470794
C -3.183827 -2.584803 -0.348231
C -2.162986 -4.810033 -0.571282
C -4.465846 -3.182950 -0.328239
C -3.438893 -5.404759 -0.550407
C -4.577407 -4.579872 -0.429458
H -0.709801 0.750540 3.234817
H 0.135794 2.329635 3.141399
H 1.373557 2.839622 0.915382
H 0.777804 1.957480 -0.517084
H 2.049408 0.749125 2.067751
H 0.840501 -0.551349 2.226866
H -2.618129 1.564325 1.971826
H -2.282495 2.785087 3.222194
H 0.321355 4.317829 -1.381774
H -3.594979 4.410932 1.730957
H -0.910553 -1.025669 0.492541
H -1.098840 -0.996253 -1.290151
H -1.435864 6.080889 -1.650594
H -3.406332 6.131054 -0.081386
H 4.042456 0.985609 1.314614
H 4.759983 -1.561992 -2.985096
H 6.649324 -0.299091 -1.923280
H -3.108510 -1.497058 -0.265714
H -1.259318 -5.419054 -0.665713
H -5.360958 -2.561267 -0.235144
H -3.545464 -6.490501 -0.628216


