%chk=000211683.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000211683

0 1
Br 4.835935 -1.497346 -0.827151
S -3.060618 2.110806 -1.012397
S -0.489400 2.452312 -2.275926
N -2.983020 -0.291686 0.173535
N -0.844335 0.747040 -0.268590
C -1.682699 0.095827 0.791176
C -3.882828 0.875197 0.061295
C -3.636411 -1.458673 0.853444
C 0.510854 0.238611 -0.423064
C -1.361911 1.652239 -1.139127
C -2.845743 -2.734622 0.574396
C 1.413957 0.418913 0.633728
C 0.880856 -0.441671 -1.593282
C 2.718990 -0.088642 0.530760
C 2.178431 -0.944964 -1.698294
C 3.077832 -0.774702 -0.642752
C 3.690315 0.105805 1.643428
H -1.150521 -0.814656 1.163712
H -1.778742 0.815249 1.642603
H -4.822453 0.573677 -0.455423
H -4.155656 1.362410 1.020241
H -3.756422 -1.304820 1.947628
H -4.661801 -1.564973 0.428677
H -1.886717 -2.760976 1.103569
H -3.415147 -3.621952 0.874563
H -2.622739 -2.833052 -0.499224
H 1.117978 0.975679 1.521298
H 0.173470 -0.559563 -2.416574
H 2.481732 -1.467892 -2.608751
H 4.577537 0.666419 1.302888
H 3.268907 0.661313 2.490742
H 4.057170 -0.857104 2.033474


%chk=000211683-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000211683

0 1
Br 4.861711 -1.764634 -0.327230
S -3.307045 1.589561 -1.194224
S -0.721592 1.681287 -2.692478
N -2.981853 -0.164361 1.048214
N -0.924955 0.511510 -0.209333
C -1.627635 0.328831 1.139863
C -3.900178 0.813619 0.543445
C -3.212253 -1.600493 0.744282
C 0.438820 0.029194 -0.280797
C -1.513429 1.184150 -1.268700
C -3.040057 -2.042413 -0.729643
C 1.364516 0.412588 0.717137
C 0.833701 -0.878658 -1.292499
C 2.690874 -0.094386 0.747590
C 2.143173 -1.394447 -1.289525
C 3.046954 -1.004857 -0.277714
C 3.656886 0.349388 1.826021
H -0.999836 -0.370989 1.712516
H -1.642627 1.312131 1.649176
H -4.890378 0.381735 0.338418
H -3.978563 1.687038 1.209205
H -2.524473 -2.178108 1.390569
H -4.238610 -1.838930 1.082243
H -1.996829 -1.930380 -1.068432
H -3.319137 -3.107792 -0.827904
H -3.683676 -1.454020 -1.406367
H 1.069332 1.144256 1.477934
H 0.133520 -1.161271 -2.082560
H 2.458632 -2.094643 -2.067952
H 4.543788 0.843405 1.388142
H 3.176569 1.057603 2.521534
H 4.031453 -0.511710 2.409669


