%chk=000245703.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000245703

0 1
Br 5.020738 -1.537479 -0.911182
S -0.001168 1.697975 1.478374
N -1.876829 0.455957 -0.001717
C -3.973923 -1.540829 -0.466431
C -3.338750 -1.331984 0.913393
C -2.986490 -1.127400 -1.564360
C -2.850114 0.115042 1.088648
C -2.503923 0.318154 -1.360661
C -1.295113 1.802099 0.182516
C 1.330044 0.802876 0.753957
C 1.133979 -0.437718 0.144123
C 2.607301 1.358414 0.880340
C 2.236340 -1.137268 -0.359468
C 3.713370 0.657040 0.388504
C 3.509961 -0.580046 -0.227700
H -4.266024 -2.599479 -0.595520
H -4.907121 -0.952557 -0.550371
H -4.059761 -1.578379 1.714017
H -2.483395 -2.026009 1.039852
H -2.114355 -1.811624 -1.557312
H -3.451980 -1.225466 -2.561987
H -3.717473 0.808483 1.117439
H -2.321385 0.209330 2.064136
H -1.730412 0.560151 -2.121685
H -3.348555 1.023441 -1.513499
H -1.997114 2.583319 0.547170
H -0.837694 2.169053 -0.760058
H 0.126075 -0.862049 0.056069
H 2.750832 2.330159 1.356027
H 2.094373 -2.105019 -0.840956
H 4.714463 1.077813 0.485243


%chk=000245703-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000245703

0 1
Br 5.159262 -1.525399 -0.963537
S 0.004755 1.811103 1.503818
N -1.966028 0.449523 -0.035923
C -4.052714 -1.580640 -0.397302
C -3.391912 -1.326628 0.976873
C -3.075924 -1.206214 -1.535553
C -2.885945 0.125238 1.081898
C -2.578277 0.245191 -1.377351
C -1.304064 1.740714 0.105761
C 1.402109 0.872524 0.763999
C 1.199402 -0.272944 -0.043780
C 2.717824 1.302227 1.064772
C 2.309262 -0.974614 -0.567459
C 3.832194 0.590842 0.564110
C 3.612232 -0.537419 -0.252473
H -4.365787 -2.637547 -0.489193
H -4.970781 -0.962719 -0.483187
H -4.107093 -1.523603 1.798059
H -2.534259 -2.013991 1.110000
H -2.204079 -1.889108 -1.515092
H -3.563986 -1.317125 -2.522844
H -3.761293 0.826091 1.090694
H -2.331143 0.274051 2.026514
H -1.816219 0.474894 -2.146364
H -3.438316 0.944478 -1.539944
H -1.983618 2.575447 0.394069
H -0.786435 2.002003 -0.831860
H 0.176267 -0.609641 -0.245274
H 2.878102 2.194090 1.679563
H 2.154769 -1.857173 -1.195254
H 4.847591 0.922348 0.799163


