%chk=000212747.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000212747

0 1
Br -2.266039 -1.641728 5.202453
O -1.848644 2.083741 -1.154536
O 2.168116 2.246508 -0.362066
O 2.769189 -1.443652 0.902976
N -1.569726 0.380065 0.357963
N 1.353340 0.350191 0.649934
C -0.928092 -0.096757 1.559511
C 0.480809 -0.109328 1.709877
C -0.088411 2.377176 0.443819
C -1.238613 1.637305 -0.208570
C 1.240080 1.706509 0.185534
C -2.574919 -0.482281 -0.242294
C -1.743746 -0.550336 2.613597
C 1.047469 -0.584681 2.906375
C 2.392023 -0.559480 0.172833
C -1.152582 -1.022098 3.782649
C 0.235920 -1.048071 3.941164
C 2.859119 -0.333163 -1.221720
C -2.351694 -1.871162 -0.264811
C -3.744474 0.066870 -0.791013
C -3.315606 -2.705621 -0.832395
C -4.693249 -0.786117 -1.360677
C 1.946187 -0.345344 -2.286557
C 4.230442 -0.163282 -1.457831
C -4.486110 -2.168464 -1.379596
C 2.412847 -0.186176 -3.593196
C 4.686884 0.002549 -2.768583
C 3.780427 -0.009108 -3.833587
H -0.050979 3.411977 0.012527
H -0.260176 2.534832 1.531203
H -2.832620 -0.537384 2.499558
H 2.138314 -0.618085 3.010363
H 0.688890 -1.427086 4.860273
H -1.439541 -2.296198 0.152279
H -3.903182 1.147488 -0.797172
H -3.150730 -3.783036 -0.851060
H -5.601022 -0.364731 -1.793253
H 0.880393 -0.480242 -2.098724
H 4.933906 -0.157411 -0.624226
H -5.232021 -2.826017 -1.822158
H 1.709006 -0.193883 -4.425079
H 5.750472 0.142874 -2.958150
H 4.139441 0.121938 -4.854534


%chk=000212747-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000212747

0 1
Br -2.340614 -1.868493 5.125271
O -1.775010 2.106933 -1.242012
O 2.123323 2.520572 -0.281886
O 3.157984 -0.953828 1.136962
N -1.508826 0.383752 0.333770
N 1.367529 0.542103 0.745679
C -0.901086 -0.078198 1.555097
C 0.503013 0.013661 1.778911
C -0.177404 2.480607 0.569939
C -1.231708 1.668640 -0.192981
C 1.209764 1.893881 0.302459
C -2.483036 -0.484915 -0.311550
C -1.736935 -0.633461 2.558559
C 1.042555 -0.431743 3.011586
C 2.531802 -0.235575 0.316187
C -1.170123 -1.096162 3.756044
C 0.216417 -1.000336 4.001340
C 2.858978 -0.201697 -1.137399
C -2.152660 -1.847826 -0.510174
C -3.740911 0.012063 -0.727154
C -3.085958 -2.714938 -1.116686
C -4.664268 -0.861579 -1.341789
C 1.868262 0.009273 -2.132823
C 4.194542 -0.490337 -1.522595
C -4.344713 -2.225192 -1.536032
C 2.216979 -0.053787 -3.496760
C 4.541725 -0.539141 -2.886566
C 3.553832 -0.319361 -3.876693
H -0.189743 3.506195 0.176880
H -0.391346 2.494412 1.654279
H -2.813479 -0.697474 2.381611
H 2.118675 -0.357278 3.174574
H 0.645466 -1.355189 4.941821
H -1.174158 -2.223379 -0.192154
H -3.986260 1.067411 -0.588473
H -2.826064 -3.768195 -1.266902
H -5.635991 -0.474394 -1.666448
H 0.827852 0.199940 -1.848977
H 4.941375 -0.669269 -0.742447
H -5.066832 -2.898060 -2.010672
H 1.448770 0.105041 -4.260552
H 5.576024 -0.747205 -3.180167
H 3.823357 -0.358369 -4.937978


