%chk=000197695.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000197695

0 1
Br -7.874962 -1.354289 -1.798043
O 3.263578 1.440980 1.827588
O 5.391489 2.265064 -2.073745
N -1.994786 1.150924 0.789915
N 4.288434 1.815966 -0.143963
C 0.863497 0.472418 0.665555
C 2.228901 0.322551 -0.088501
C -0.225457 -0.432671 0.064504
C 0.362802 1.929235 0.679370
C 2.104580 0.786515 -1.555626
C -1.547886 -0.280763 0.832416
C -0.972614 2.043483 1.431655
C 2.698408 -1.124071 0.046787
C 3.260679 1.218497 0.633073
C 3.450951 0.835981 -2.272817
C -3.323191 1.314981 1.471308
C 4.458546 1.693276 -1.554438
C 3.273882 -1.562437 1.251529
C 2.524562 -2.046553 -0.995852
C -4.413684 0.645067 0.669456
C 3.692661 -2.886709 1.396343
C 2.943638 -3.372097 -0.847841
C 3.533375 -3.795811 0.345796
C -4.490156 0.833945 -0.720065
C -5.374894 -0.144769 1.317260
C -5.516132 0.240670 -1.458290
C -6.408271 -0.740277 0.586795
C -6.465035 -0.539785 -0.792998
H 1.046253 0.158092 1.727163
H 0.090627 -1.493195 0.088971
H -0.393457 -0.177936 -1.000344
H 0.232578 2.301320 -0.356811
H 1.106073 2.590743 1.166599
H 1.622795 1.788538 -1.586014
H 1.409228 0.117162 -2.104493
H -2.333368 -0.897391 0.340310
H -1.435749 -0.668030 1.867917
H -0.818952 1.821408 2.510226
H -1.341234 3.090636 1.364418
H 3.328256 1.212559 -3.312133
H 3.881252 -0.186675 -2.385607
H -3.552650 2.406939 1.523796
H -3.320411 0.947830 2.521820
H 4.977024 2.394739 0.363080
H 3.395336 -0.871716 2.091378
H 2.050839 -1.743809 -1.929321
H 4.143998 -3.210714 2.333921
H 2.806586 -4.076609 -1.667289
H 3.863230 -4.826867 0.458914
H -3.731297 1.440664 -1.220208
H -5.325149 -0.300300 2.393875
H -5.570897 0.389219 -2.537214
H -7.154427 -1.351530 1.095376


%chk=000197695-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000197695

0 1
Br -8.142285 -1.215843 -1.775359
O 3.243837 1.490574 1.853444
O 5.598564 2.281752 -2.032172
N -2.014147 1.080261 0.854861
N 4.334564 1.832616 -0.143342
C 0.871109 0.512258 0.586441
C 2.268843 0.372689 -0.142633
C -0.212950 -0.439783 0.025626
C 0.305323 1.955639 0.601297
C 2.204831 0.846357 -1.622920
C -1.512672 -0.316877 0.845260
C -1.003467 2.010301 1.415604
C 2.756384 -1.101193 0.001884
C 3.288402 1.263694 0.612648
C 3.587937 0.884108 -2.304904
C -3.328517 1.204044 1.525792
C 4.591666 1.719493 -1.529685
C 3.234820 -1.567531 1.256187
C 2.660148 -2.034509 -1.063300
C -4.469180 0.578969 0.727771
C 3.616110 -2.914992 1.433766
C 3.040510 -3.384020 -0.886944
C 3.523940 -3.832063 0.362133
C -4.487890 0.660864 -0.686936
C -5.553678 -0.048831 1.386078
C -5.565112 0.134691 -1.433258
C -6.644315 -0.579337 0.658221
C -6.634414 -0.478146 -0.747027
H 1.061136 0.228488 1.642138
H 0.132476 -1.489005 0.055978
H -0.440789 -0.187622 -1.028630
H 0.079046 2.295893 -0.427126
H 1.033648 2.655943 1.049813
H 1.767394 1.860630 -1.650371
H 1.521374 0.201974 -2.201510
H -2.294188 -0.966146 0.411611
H -1.322264 -0.677393 1.891120
H -0.774658 1.768704 2.486921
H -1.418832 3.035380 1.389641
H 3.530133 1.300241 -3.324993
H 4.010098 -0.135048 -2.396964
H -3.530467 2.287573 1.649410
H -3.319088 0.765963 2.557066
H 5.010431 2.391861 0.393498
H 3.311404 -0.872026 2.099404
H 2.272897 -1.727230 -2.040598
H 3.985861 -3.247102 2.410308
H 2.955303 -4.083376 -1.726319
H 3.822009 -4.877351 0.498531
H -3.638418 1.132444 -1.192960
H -5.554257 -0.131246 2.479960
H -5.572319 0.201567 -2.525226
H -7.476892 -1.063903 1.176268


