%chk=000295686.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000295686

0 1
Br 1.597731 2.879786 -1.550691
S 0.218749 -4.222619 -0.205633
O -3.709369 0.989036 0.007586
O -1.822841 2.204667 0.244186
N 0.543313 0.820552 0.216517
N 0.344585 -1.552087 0.047253
N -1.848993 -2.593970 -0.182462
C -0.253383 -0.296092 0.106810
C -1.682422 -0.183161 0.036280
C 1.974361 0.795158 0.308000
C 2.663557 1.761966 -0.451741
C 2.692777 -0.090293 1.123617
C -2.426723 -1.381240 -0.110971
C -2.347437 1.108885 0.108283
C 4.049168 1.867230 -0.393755
C 4.086474 0.013214 1.174234
C -0.469656 -2.618462 -0.100907
C 4.761569 0.984029 0.427797
C -4.484882 2.242366 0.068973
C -5.917779 1.778261 -0.064977
C 1.993803 -3.945010 -0.115184
H 0.066879 1.757794 0.251709
H 2.169805 -0.855380 1.700240
H -3.527382 -1.341421 -0.171987
H 4.574273 2.621164 -0.982188
H 4.650773 -0.671991 1.807937
H 5.847299 1.055302 0.480743
H -4.260724 2.725019 1.035772
H -4.144549 2.884365 -0.761672
H -6.612903 2.626470 -0.039218
H -6.079759 1.237726 -1.008232
H -6.195963 1.089008 0.744603
H 2.301529 -3.567680 0.868394
H 2.337806 -3.215510 -0.863882
H 2.495015 -4.903284 -0.303134


%chk=000295686-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000295686

0 1
Br 1.425570 3.703590 0.078515
S 0.122501 -4.447581 0.271800
O -3.722220 0.950264 -0.069741
O -1.714339 2.127851 -0.025742
N 0.561374 0.671498 0.106466
N 0.301651 -1.708254 0.176987
N -1.914794 -2.738102 0.121799
C -0.244240 -0.447430 0.112574
C -1.688656 -0.298339 0.050784
C 1.971282 0.793092 0.151670
C 2.558002 2.096443 0.145037
C 2.862870 -0.317818 0.201996
C -2.452492 -1.493390 0.058272
C -2.337006 1.019126 -0.016551
C 3.951100 2.287232 0.185869
C 4.257463 -0.128313 0.242599
C -0.542549 -2.766541 0.179987
C 4.813605 1.169414 0.235081
C -4.446246 2.260181 -0.138689
C -5.934438 1.933524 -0.182884
C 1.968603 -4.112382 0.347267
H 0.011464 1.557478 0.059420
H 2.421470 -1.313462 0.208431
H -3.543050 -1.432136 0.011589
H 4.356457 3.303049 0.179211
H 4.912832 -1.005371 0.280442
H 5.897268 1.319555 0.266737
H -4.165426 2.855483 0.748568
H -4.099517 2.797438 -1.039560
H -6.517867 2.870570 -0.236757
H -6.179329 1.321537 -1.067567
H -6.245872 1.382784 0.720910
H 2.201842 -3.503012 1.232181
H 2.295142 -3.600857 -0.569602
H 2.442248 -5.103323 0.425199


