%chk=000222117.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000222117

0 1
Br 1.819079 -4.533889 1.544562
O -0.307668 0.743791 -0.486580
O -2.937489 -2.018460 0.915936
N -2.722816 -0.459565 -0.734835
C 2.558607 0.498180 -0.245197
C 3.486079 0.091595 -1.408026
C 3.377436 0.943728 0.983103
C 4.435115 1.240615 -1.772621
C 4.326493 2.091659 0.615363
C 5.243890 1.705767 -0.553481
C 1.608989 -0.622882 0.111131
C 0.210517 -0.442170 -0.024636
C 2.071596 -1.853116 0.578948
C -0.711779 -1.449719 0.301490
C 1.159219 -2.864082 0.907463
C -0.214778 -2.674110 0.782810
C -2.204413 -1.325133 0.222555
C -4.184474 -0.219537 -0.815478
C -4.560369 1.148479 -0.224758
C -6.067605 1.404143 -0.352500
C -6.458263 2.761649 0.226768
H 1.951586 1.387673 -0.589249
H 2.885028 -0.204287 -2.287717
H 4.073774 -0.804265 -1.129234
H 3.959598 0.090545 1.381561
H 2.698876 1.252569 1.799960
H 3.860845 2.089980 -2.188991
H 5.121871 0.915889 -2.577484
H 4.936496 2.367844 1.496596
H 3.745111 2.996340 0.354316
H 5.935179 0.901391 -0.235321
H 5.882933 2.564939 -0.830602
H 3.146198 -2.022909 0.689317
H -0.931212 -3.459889 1.062040
H 0.424102 1.417373 -0.666316
H -4.719194 -1.036806 -0.270703
H -4.486935 -0.287706 -1.883659
H -2.126280 0.203744 -1.227504
H -3.995056 1.956168 -0.726391
H -4.259421 1.189962 0.841550
H -6.629680 0.602057 0.167218
H -6.373376 1.349679 -1.415741
H -7.536904 2.934072 0.136887
H -6.203789 2.834065 1.290851
H -5.950016 3.584327 -0.288400


%chk=000222117-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000222117

0 1
Br 1.464402 -4.104779 2.257713
O -0.141190 0.898936 -0.985956
O -3.068039 -1.895476 0.345735
N -2.681069 0.068454 -0.834004
C 2.740854 0.498930 -0.359049
C 3.743773 -0.172565 -1.343443
C 3.495482 1.107621 0.859460
C 4.851647 0.811736 -1.785633
C 4.604583 2.087863 0.411395
C 5.594076 1.415509 -0.569697
C 1.627455 -0.458462 0.071611
C 0.254981 -0.239524 -0.242834
C 1.962318 -1.616182 0.815089
C -0.766426 -1.141974 0.170847
C 0.957777 -2.510650 1.225176
C -0.389864 -2.287235 0.915264
C -2.257265 -1.015057 -0.097095
C -4.107459 0.279963 -1.125487
C -4.843301 1.079623 -0.022839
C -6.339971 1.280132 -0.350646
C -7.086737 2.072787 0.743842
H 2.317389 1.372431 -0.913260
H 3.198322 -0.566884 -2.222103
H 4.207751 -1.045501 -0.841895
H 3.949544 0.284550 1.446808
H 2.775060 1.613688 1.530212
H 4.399240 1.632506 -2.381021
H 5.565757 0.293029 -2.453408
H 5.143596 2.471407 1.298653
H 4.141406 2.967442 -0.083378
H 6.143133 0.609862 -0.040038
H 6.350961 2.147775 -0.910104
H 3.007459 -1.813245 1.071945
H -1.193076 -2.963583 1.223040
H 0.643113 1.457518 -1.214587
H -4.580539 -0.713196 -1.228171
H -4.189363 0.806606 -2.095740
H -1.976298 0.749110 -1.137536
H -4.354708 2.066328 0.111215
H -4.739581 0.532463 0.933463
H -6.818997 0.288769 -0.481850
H -6.438997 1.807258 -1.322332
H -8.155005 2.203831 0.491098
H -7.030633 1.549730 1.716733
H -6.644462 3.078153 0.877807


