%chk=000234895.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000234895

0 1
Br -6.062608 0.228107 -0.704349
O 0.170719 -1.416231 1.353190
N 2.267948 -0.100161 -0.121145
C 2.797449 1.251881 0.259024
C 3.107102 -0.727778 -1.195863
C 4.237794 1.117676 0.780155
C 4.553253 -0.888098 -0.698005
C 5.143838 0.460152 -0.267904
C 0.833572 -0.016315 -0.541839
C -0.035685 -0.133147 0.735306
C -1.507546 -0.054096 0.392288
C -2.083753 1.191647 0.102708
C -2.294829 -1.213350 0.363255
C -3.439844 1.279459 -0.224645
C -3.652473 -1.135380 0.040484
C -4.206047 0.112219 -0.253013
H 2.148107 1.660319 1.063360
H 2.766611 1.975388 -0.584070
H 3.094980 -0.146276 -2.142508
H 2.679567 -1.729481 -1.420434
H 4.239203 0.509905 1.707385
H 4.626534 2.113746 1.059233
H 5.170094 -1.346085 -1.492459
H 4.572138 -1.592363 0.157971
H 5.258115 1.124540 -1.145132
H 6.160390 0.316980 0.143133
H 0.577920 0.906609 -1.100743
H 0.582484 -0.866646 -1.214449
H 0.242010 0.638463 1.491693
H 1.142274 -1.605221 1.385526
H -1.481158 2.097963 0.134625
H -1.835170 -2.176553 0.607929
H -3.886524 2.247988 -0.450463
H -4.262866 -2.038961 0.022056


%chk=000234895-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000234895

0 1
Br -6.133099 -0.386077 -0.801778
O 0.426594 -0.913151 1.511149
N 2.234207 0.039448 -0.192682
C 2.939951 1.215190 0.392721
C 3.011090 -0.584955 -1.300428
C 4.335202 0.820546 0.917207
C 4.405281 -1.028562 -0.815079
C 5.176923 0.160563 -0.198895
C 0.819896 0.324749 -0.546797
C -0.050490 0.236865 0.753734
C -1.526492 0.089622 0.418011
C -2.271306 1.208613 -0.030528
C -2.167092 -1.168057 0.516068
C -3.630301 1.078530 -0.395901
C -3.526534 -1.316519 0.158656
C -4.238900 -0.189655 -0.298984
H 2.324247 1.616137 1.218221
H 3.042399 2.025148 -0.372613
H 3.129232 0.130631 -2.152507
H 2.438640 -1.454070 -1.672773
H 4.214015 0.111735 1.759350
H 4.844013 1.720629 1.311674
H 4.966374 -1.460466 -1.665537
H 4.284064 -1.826308 -0.056406
H 5.391968 0.909335 -0.989404
H 6.152008 -0.175904 0.200118
H 0.681593 1.311013 -1.045084
H 0.476302 -0.462503 -1.242067
H 0.092322 1.167218 1.348874
H 1.392190 -0.988850 1.210825
H -1.799314 2.197404 -0.090686
H -1.590297 -2.017318 0.893245
H -4.201212 1.945301 -0.741174
H -4.019876 -2.289382 0.241771


