%chk=000260324.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000260324

0 1
Br 0.955482 2.553932 -1.407538
F -6.341038 -0.267786 -1.095086
F -6.373176 -0.565660 1.006673
F -6.571534 1.392419 0.209022
O 6.961890 -0.388212 0.064028
O 6.300336 1.665191 0.224525
O -3.919268 1.594553 0.284115
N -3.599687 -0.683448 -0.040521
N 6.093366 0.467317 0.126149
C 1.073353 1.327127 0.122882
C 0.001884 0.262414 0.043140
C 2.354895 0.532841 0.085124
C 0.603415 -1.031624 -0.021661
C 2.061304 -0.868159 0.002252
C -1.370907 0.422880 0.040713
C -0.190330 -2.169436 -0.093439
C 3.659136 0.985012 0.120460
C 3.083861 -1.807162 -0.037827
C -2.165122 -0.743416 -0.029079
C -1.583542 -2.024989 -0.096375
C 4.685323 0.015002 0.082774
C 4.411442 -1.356269 0.002770
C -4.350931 0.482382 0.114714
C -5.898557 0.251915 0.057413
H 0.982672 1.959251 1.035962
H -1.822193 1.421961 0.078590
H 0.256952 -3.162206 -0.146366
H 3.907469 2.051482 0.167487
H 2.868065 -2.872531 -0.101804
H -2.206176 -2.917045 -0.151525
H 5.241321 -2.073050 -0.028607
H -4.078605 -1.581984 -0.170067


%chk=000260324-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000260324

0 1
Br 1.003734 2.535133 -1.677061
F -6.581095 0.771111 -1.048183
F -6.193706 -1.226119 -0.029786
F -6.558646 0.644522 1.212845
O 7.051069 -0.484722 0.170473
O 6.376871 1.695615 0.176728
O -4.040408 1.708974 0.095292
N -3.622375 -0.622335 0.005705
N 6.135227 0.426691 0.152190
C 1.099525 1.343468 0.003262
C 0.008908 0.291519 -0.006863
C 2.380394 0.535826 0.027846
C 0.600929 -1.008081 -0.006876
C 2.065546 -0.860781 0.016172
C -1.379599 0.474711 0.000467
C -0.221121 -2.154999 -0.007896
C 3.706451 0.979153 0.072033
C 3.095014 -1.827099 0.044828
C -2.199979 -0.688119 0.001233
C -1.618997 -1.988522 -0.006100
C 4.719618 -0.009677 0.102364
C 4.436523 -1.396318 0.086743
C -4.411654 0.508839 0.050125
C -5.935348 0.182521 0.045582
H 1.009784 2.091099 0.806317
H -1.830475 1.468774 -0.012029
H 0.207183 -3.162220 -0.005962
H 3.979583 2.037623 0.066474
H 2.866192 -2.897384 0.038422
H -2.269303 -2.872057 -0.008272
H 5.268654 -2.104706 0.108621
H -4.117400 -1.519736 -0.025794


