%chk=000254752.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000254752

0 1
Br 6.720736 -0.598554 -0.024780
S -4.395742 0.813027 -0.051051
O -4.789826 0.732403 1.336091
O -4.270875 2.118086 -0.671038
N 0.798760 0.943618 0.088111
N -2.731529 -1.245236 -0.388341
N -0.311574 -1.164228 -0.277416
C -2.760076 0.096876 -0.162860
C -0.363457 0.191918 -0.064695
C -1.628122 0.870226 -0.001123
C 2.160185 0.502858 0.047895
C -5.436056 -0.181249 -1.025293
C 3.134399 1.526220 -0.027568
C 2.554897 -0.843340 0.105364
C -1.498306 -1.821876 -0.431456
C 4.487591 1.195587 -0.048041
C 3.913903 -1.166061 0.081875
C 4.867444 -0.149330 0.005778
H -1.691867 1.947769 0.156638
H 0.666085 1.954167 0.205540
H -5.167776 -1.253430 -1.011862
H -6.485719 -0.149927 -0.691787
H -5.452533 0.110163 -2.086048
H 2.842473 2.574034 -0.073973
H 1.817071 -1.649865 0.166414
H -1.442266 -2.909905 -0.605284
H 5.239377 1.985586 -0.107170
H 4.218101 -2.214638 0.124982


%chk=000254752-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000254752

0 1
Br 6.838578 -0.463271 -0.078190
S -4.492805 0.788971 0.105019
O -5.243252 0.371571 1.490227
O -4.191602 2.362773 -0.253316
N 0.776457 0.855567 -0.030319
N -2.740729 -1.422346 0.012573
N -0.312647 -1.278335 -0.017212
C -2.753855 -0.073931 0.011908
C -0.378240 0.098421 -0.020856
C -1.652108 0.767689 -0.019580
C 2.149216 0.476428 -0.038876
C -5.434865 -0.029505 -1.342361
C 3.098412 1.535446 -0.046729
C 2.604514 -0.868512 -0.041338
C -1.484294 -1.963742 -0.008139
C 4.480075 1.264879 -0.058070
C 3.989728 -1.138580 -0.052834
C 4.915818 -0.076725 -0.061572
H -1.780047 1.855532 -0.040430
H 0.618444 1.866457 -0.025670
H -5.371940 -1.112882 -1.171862
H -6.461908 0.352957 -1.264316
H -4.937041 0.290259 -2.267823
H 2.761900 2.580053 -0.043653
H 1.876572 -1.680097 -0.032933
H -1.417073 -3.055104 -0.016778
H 5.201032 2.086625 -0.063793
H 4.336959 -2.175698 -0.054177


