%chk=000208658.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000208658

0 1
Br -6.604991 0.394036 1.978093
O -0.221205 -1.194865 0.545218
O -0.734566 1.670570 -0.616171
N 2.427993 -3.604406 -0.118612
C -0.454850 0.056114 1.227197
C 1.106424 -2.925008 -0.287869
C 1.166273 -1.635740 0.547034
C 0.096390 1.197648 0.425442
C 2.356568 -4.666756 0.940345
C 2.953156 -4.146092 -1.414850
C -1.957661 0.137506 1.398052
C 1.276861 1.884394 0.493546
C 1.245302 2.876394 -0.560868
C -0.008596 2.707552 -1.215226
C 3.761464 -4.986885 1.452961
C 3.412192 -2.998195 -2.314756
C -2.490688 0.924903 2.428846
C -2.809078 -0.568483 0.537038
C 2.114966 3.872730 -1.021794
C -0.433831 3.479343 -2.297089
C -3.875414 1.005356 2.602134
C -4.194681 -0.496831 0.706930
C 1.708052 4.652616 -2.101288
C 0.456041 4.459865 -2.727836
C -4.708710 0.290417 1.738944
H 0.058353 0.021238 2.222453
H 0.235576 -3.537674 0.030970
H 0.912871 -2.663571 -1.350867
H 1.803777 -0.867211 0.080009
H 1.485613 -1.814440 1.586590
H 1.857265 -5.594428 0.586099
H 1.742407 -4.278421 1.783806
H 2.212990 -4.780895 -1.947919
H 3.825670 -4.799413 -1.184810
H 2.088797 1.745144 1.179987
H 4.370113 -5.493415 0.695241
H 4.296698 -4.067703 1.728036
H 3.719915 -5.631053 2.336970
H 2.573617 -2.381252 -2.657805
H 4.098731 -2.330201 -1.776866
H 3.934151 -3.376552 -3.199290
H -1.833422 1.482717 3.094846
H -2.377773 -1.175455 -0.264474
H 3.079698 4.026804 -0.544662
H -1.399606 3.317400 -2.765673
H -4.291215 1.619981 3.401136
H -4.856482 -1.047734 0.037774
H 2.366158 5.434041 -2.478524
H 0.184586 5.097604 -3.569150


%chk=000208658-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000208658

0 1
Br -6.824842 0.717530 1.973784
O -0.388766 -1.322808 0.478091
O -0.573536 1.494687 -0.765095
N 2.445032 -3.650542 -0.250884
C -0.608954 -0.052520 1.191476
C 1.067720 -3.096682 -0.280347
C 1.026835 -1.727914 0.414649
C 0.010286 1.121963 0.477868
C 2.716727 -4.438428 0.982010
C 2.826882 -4.357461 -1.501922
C -2.117026 0.109174 1.381954
C 1.075212 1.947695 0.788308
C 1.203962 2.914002 -0.290695
C 0.173005 2.597775 -1.225783
C 4.210397 -4.475696 1.357648
C 3.121314 -3.390626 -2.664544
C -2.607384 0.951354 2.407472
C -3.033041 -0.552316 0.532354
C 2.069558 4.001632 -0.572508
C -0.045589 3.298578 -2.419796
C -3.995528 1.139533 2.590078
C -4.424958 -0.377688 0.702010
C 1.869577 4.723232 -1.768038
C 0.828506 4.378654 -2.678502
C -4.887908 0.468671 1.729480
H -0.113604 -0.101630 2.187899
H 0.325873 -3.772968 0.204581
H 0.741750 -2.965204 -1.327103
H 1.626277 -0.992385 -0.156629
H 1.443239 -1.793825 1.444483
H 2.321338 -5.482474 0.893692
H 2.157489 -3.965724 1.811557
H 2.043066 -5.094789 -1.810962
H 3.740525 -4.943011 -1.292330
H 1.693905 1.875364 1.681393
H 4.821364 -4.958627 0.573787
H 4.591773 -3.449378 1.499258
H 4.359497 -5.044490 2.294555
H 2.238354 -2.778066 -2.923598
H 3.940378 -2.704335 -2.387835
H 3.416710 -3.951882 -3.570825
H -1.909166 1.474786 3.071972
H -2.650382 -1.209474 -0.252325
H 2.873731 4.276134 0.118149
H -0.849911 3.022856 -3.107125
H -4.369664 1.790352 3.385273
H -5.132261 -0.891585 0.044816
H 2.525726 5.567479 -2.006124
H 0.702410 4.962769 -3.596332


