%chk=000242073.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000242073

0 1
Br -2.993786 -0.316778 0.118488
S 3.032324 1.572448 -0.148082
N -0.618123 -1.966644 0.481491
N 1.110723 -0.306893 0.072364
N 0.443342 2.022632 -0.204695
C 0.159291 -3.170617 0.066382
C -1.215362 -2.903844 -0.516000
C -0.213658 -0.653107 0.137216
C -1.234551 0.317373 0.006025
C -0.877786 1.669424 -0.160565
C 1.367641 1.026487 -0.080682
C -1.892244 2.745242 -0.292695
C 3.993777 0.069455 0.086999
H 0.296940 -3.923732 0.849731
H 1.056643 -3.066238 -0.550387
H -1.328932 -2.608118 -1.561630
H -2.091604 -3.456132 -0.156405
H -2.530541 2.800886 0.605128
H -1.432274 3.738498 -0.432613
H -2.560002 2.564066 -1.150475
H 3.842479 -0.647925 -0.730240
H 3.732789 -0.444740 1.023152
H 5.053813 0.351357 0.122694


%chk=000242073-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000242073

0 1
Br -3.153643 -0.178865 0.163387
S 3.064941 1.595077 -0.116076
N -0.521848 -1.991541 0.438945
N 1.075757 -0.287260 0.100356
N 0.424653 2.038251 -0.210547
C 0.274765 -3.137726 -0.051354
C -1.199566 -2.978202 -0.448893
C -0.245214 -0.656085 0.164634
C -1.268250 0.330899 0.032532
C -0.902684 1.685718 -0.165415
C 1.336373 1.034632 -0.064206
C -1.907032 2.797570 -0.328958
C 3.968579 -0.033867 0.145298
H 0.551404 -3.877180 0.706109
H 1.040615 -2.926271 -0.806313
H -1.416397 -2.669513 -1.478418
H -1.966559 -3.594288 0.028892
H -2.543944 2.893739 0.569652
H -1.369953 3.742816 -0.495474
H -2.584325 2.603587 -1.180637
H 3.770728 -0.712244 -0.696269
H 3.635867 -0.496302 1.084798
H 5.036634 0.230156 0.193159


