%chk=000179171.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000179171

0 1
Br -1.652056 -1.597188 1.849109
O -1.024328 0.594803 -0.787055
O -2.883186 1.235035 0.336429
O 3.718919 0.191680 0.730138
N -0.507963 2.348937 -3.557658
C -3.733112 -1.692665 -0.246363
C -2.293980 -1.158781 0.042630
C -4.133280 -1.180029 -1.642078
C -3.689713 -3.227563 -0.253123
C -4.728552 -1.190982 0.802580
C -2.186255 0.341917 -0.067221
C -0.611818 1.986719 -0.963843
C 0.744831 2.141401 -0.307714
C 1.557934 1.019287 -0.117642
C 1.160553 3.411947 0.107473
C 2.788195 1.200552 0.521934
C 2.409021 3.564961 0.726434
C 3.234128 2.464593 0.948188
C -0.549911 2.189426 -2.416025
C 3.305503 -1.146481 0.781042
C 2.146992 -1.566206 1.441904
C 4.218292 -2.040720 0.204101
C 1.898061 -2.939843 1.516510
C 3.948092 -3.406452 0.302217
C 2.790954 -3.856328 0.950980
H -1.566830 -1.649202 -0.656252
H -5.085479 -1.622089 -1.961120
H -4.278330 -0.092868 -1.657280
H -3.395150 -1.432278 -2.410544
H -3.407775 -3.639335 0.723612
H -2.985626 -3.621572 -0.993259
H -4.675696 -3.643656 -0.494232
H -4.666619 -0.100490 0.939266
H -4.564497 -1.645443 1.786642
H -5.760443 -1.419925 0.514400
H -1.386224 2.660557 -0.498032
H 1.231562 0.037443 -0.465219
H 0.526578 4.282700 -0.046589
H 2.734829 4.556727 1.043910
H 4.203617 2.560797 1.433913
H 1.463197 -0.849228 1.892385
H 5.108309 -1.665077 -0.296011
H 0.999521 -3.295162 2.022029
H 4.641836 -4.125550 -0.133558
H 2.587797 -4.923170 1.016695


%chk=000179171-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000179171

0 1
Br -2.052515 -1.431952 1.787682
O -1.070521 -0.033096 -1.202165
O -2.694405 1.398162 -0.322559
O 3.888729 0.352418 1.146785
N 0.941165 0.552927 -3.879327
C -4.435605 -1.157015 -0.067616
C -2.885042 -1.080024 -0.067297
C -4.886823 -0.820130 -1.525392
C -4.864041 -2.612095 0.261494
C -5.103083 -0.172761 0.925385
C -2.260666 0.241022 -0.507541
C -0.249329 1.188950 -1.583314
C 0.709290 1.537898 -0.456848
C 1.857089 0.743638 -0.224784
C 0.414415 2.640696 0.379949
C 2.696304 1.053776 0.866729
C 1.282335 2.952488 1.450542
C 2.422505 2.162349 1.701580
C 0.407483 0.822831 -2.848415
C 4.012231 -1.033571 0.843700
C 2.958640 -1.953322 1.053252
C 5.287625 -1.462258 0.419475
C 3.195029 -3.325379 0.813712
C 5.509291 -2.838142 0.189841
C 4.465180 -3.773527 0.380836
H -2.451226 -1.894968 -0.668868
H -5.978195 -0.970396 -1.606896
H -4.670178 0.230408 -1.786329
H -4.400133 -1.479485 -2.269070
H -4.553629 -2.902451 1.280305
H -4.428098 -3.335589 -0.453654
H -5.964078 -2.695963 0.202048
H -4.815998 0.869938 0.713995
H -4.818684 -0.406842 1.966263
H -6.201731 -0.261436 0.842202
H -0.959647 2.020682 -1.752735
H 2.090107 -0.099594 -0.883318
H -0.488253 3.235280 0.205965
H 1.064285 3.807503 2.098451
H 3.104071 2.381544 2.528664
H 1.979058 -1.611701 1.403159
H 6.079207 -0.720513 0.277975
H 2.383271 -4.043350 0.974077
H 6.496772 -3.176837 -0.141964
H 4.639696 -4.838915 0.197729


