%chk=000238571.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000238571

0 1
Br 0.000162 2.843195 -0.001199
S 2.775141 0.972769 0.081525
S -2.774830 0.972755 -0.082953
N 1.205159 -1.152329 0.035282
N -1.204869 -1.152335 -0.035630
C 5.341904 0.228649 0.157432
C -5.341600 0.228613 -0.158465
C 3.960834 -0.413217 0.116823
C -3.960533 -0.413241 -0.117569
C 6.432325 -0.841954 0.190836
C -6.432028 -0.841999 -0.191330
C 1.199058 0.210750 0.034895
C -1.198754 0.210743 -0.035956
C 0.000156 0.954050 -0.000723
C 0.000142 -1.788809 -0.000026
H 5.497260 0.884011 -0.725626
H 5.444496 0.885558 1.047028
H -5.496937 0.884405 0.724277
H -5.444204 0.885090 -1.048379
H 3.824187 -1.057628 -0.773123
H 3.771939 -1.057178 0.997501
H -3.823876 -1.057223 0.772685
H -3.771655 -1.057629 -0.997940
H 6.394155 -1.488481 -0.693931
H 7.429249 -0.386328 0.220086
H 6.341595 -1.486896 1.072931
H -6.393849 -1.488095 0.693751
H -7.428950 -0.386381 -0.220787
H -6.341316 -1.487372 -1.073112
H 0.000136 -2.890496 0.000298


%chk=000238571-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000238571

0 1
Br 0.000172 2.947589 -0.001235
S 2.811251 1.137649 0.057626
S -2.810931 1.137658 -0.059297
N 1.213694 -1.097905 0.026478
N -1.213400 -1.097901 -0.027173
C 5.445569 0.190293 0.139780
C -5.445270 0.190275 -0.140713
C 4.004491 -0.344851 0.105439
C -4.004187 -0.344853 -0.106326
C 6.462032 -0.972979 0.211096
C -6.461739 -0.973043 -0.211221
C 1.218945 0.273054 0.025455
C -1.218635 0.273058 -0.026757
C 0.000159 1.000727 -0.000807
C 0.000142 -1.707288 -0.000189
H 5.641875 0.802100 -0.761654
H 5.580005 0.854303 1.015443
H -5.641426 0.802565 0.760426
H -5.579860 0.853810 -1.016712
H 3.803882 -0.957984 -0.787232
H 3.754600 -0.936701 1.000143
H -3.803471 -0.957596 0.786589
H -3.754414 -0.937098 -1.000801
H 6.368805 -1.640731 -0.665361
H 7.496853 -0.586905 0.234207
H 6.306755 -1.582565 1.120372
H -6.368348 -1.640311 0.665586
H -7.496568 -0.586990 -0.234360
H -6.306620 -1.583127 -1.120191
H 0.000137 -2.801257 -0.000009


