%chk=000186474.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000186474

0 1
Br 5.589860 1.375972 0.194270
Cl 1.172469 -0.538361 -2.550454
S -3.051094 -0.152165 -0.073998
S -0.880211 -2.393155 1.242910
P -1.316713 -0.379593 1.044026
O -0.311724 0.110836 -0.231488
O -1.190020 0.400836 2.296424
C -3.459684 1.626346 0.211902
C -0.877522 -3.039020 -0.485504
C -4.894945 1.790843 -0.268540
C -0.127057 -4.362268 -0.417515
C -5.350634 3.240691 -0.107485
C -0.062394 -5.012588 -1.799009
C 1.015483 0.388359 -0.015223
C 1.848493 0.129533 -1.125965
C 1.548417 0.951356 1.152888
C 3.209830 0.425670 -1.074330
C 2.914156 1.239635 1.207893
C 3.728163 0.975458 0.102391
H -2.757410 2.260730 -0.362966
H -3.356468 1.892523 1.283537
H -0.381914 -2.329551 -1.179825
H -1.919727 -3.174583 -0.830838
H -5.577467 1.123754 0.300228
H -4.992338 1.489928 -1.333183
H -0.615522 -5.058539 0.296370
H 0.904586 -4.208028 -0.034272
H -5.311975 3.566615 0.939110
H -6.385608 3.366265 -0.448498
H -4.730035 3.931488 -0.690616
H -1.060810 -5.224128 -2.199181
H 0.480909 -5.964673 -1.758551
H 0.455944 -4.374088 -2.525133
H 0.913607 1.174680 2.021041
H 3.849024 0.227500 -1.938574
H 3.334630 1.674621 2.118357


%chk=000186474-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000186474

0 1
Br 5.770346 1.319912 0.413913
Cl 1.461290 -1.006577 -2.455257
S -3.291632 -0.293976 -0.163660
S -0.869744 -2.547563 1.430332
P -1.373852 -0.363734 1.043859
O -0.258359 0.136129 -0.274819
O -1.305131 0.585308 2.324530
C -3.603433 1.591569 0.005719
C -0.978918 -3.208910 -0.367512
C -5.109329 1.861381 -0.154449
C 0.037265 -4.350656 -0.543537
C -5.403991 3.376844 -0.051837
C -0.055120 -4.944129 -1.969061
C 1.106971 0.382914 -0.045725
C 2.038423 -0.064687 -1.014941
C 1.580146 1.118905 1.069902
C 3.414025 0.210323 -0.896138
C 2.956513 1.391082 1.213680
C 3.857058 0.937574 0.227891
H -3.006469 2.091182 -0.773712
H -3.242879 1.888715 1.005815
H -0.750095 -2.370403 -1.046069
H -2.015374 -3.548577 -0.523383
H -5.667418 1.313453 0.627232
H -5.461183 1.481629 -1.132937
H -0.149274 -5.146081 0.203621
H 1.056764 -3.963899 -0.360919
H -5.083627 3.780849 0.926112
H -6.486669 3.567669 -0.159464
H -4.879688 3.942959 -0.843625
H -1.060573 -5.358425 -2.169322
H 0.678676 -5.760073 -2.095866
H 0.157484 -4.174227 -2.733262
H 0.864180 1.462508 1.823121
H 4.112683 -0.139010 -1.660025
H 3.315230 1.952922 2.079991


