%chk=000222504.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000222504

0 1
Br -4.999222 -1.149233 1.108762
O -0.542566 0.120340 -3.833042
N 1.333738 1.070334 -0.775055
C 1.301864 2.293009 0.096581
C 2.745476 0.621821 -1.021783
C 0.604393 1.288738 -2.060563
C -0.117214 2.578262 0.617729
C 3.246876 -0.146993 0.213420
C -0.060890 -0.046441 -2.479680
C -0.498095 1.685149 1.805043
C 4.658722 -0.698607 -0.013959
C -1.278947 -0.356241 -1.639373
C -1.950693 1.925785 2.240154
C 5.164381 -1.463937 1.217388
C -1.106521 -1.036064 -0.428368
C -2.557234 0.050023 -2.046856
C -2.320292 1.110592 3.477031
C 6.570226 -2.018535 0.999654
C -2.205471 -1.303133 0.404135
C -3.659496 -0.205750 -1.229562
C -3.472484 -0.865390 -0.012872
C -2.011044 -2.012701 1.700297
H 1.983260 2.110440 0.958717
H 1.692357 3.192969 -0.426400
H 2.763163 -0.053913 -1.903784
H 3.432171 1.462360 -1.258146
H 1.243157 1.663423 -2.885843
H -0.195605 2.054827 -1.928571
H -0.184367 3.643331 0.911162
H -0.856921 2.440113 -0.199654
H 3.230586 0.512155 1.103709
H 2.541513 -0.969285 0.446636
H 0.664865 -0.889993 -2.464196
H -0.360104 0.621329 1.521871
H 0.187749 1.865615 2.652954
H 4.669189 -1.365978 -0.897163
H 5.356584 0.126992 -0.252395
H -2.112281 3.002148 2.442243
H -2.636638 1.664761 1.407976
H 5.158112 -0.798739 2.103112
H 4.468899 -2.292182 1.457273
H -0.103947 -1.330896 -0.114034
H -2.680189 0.556784 -3.006153
H 0.192484 0.048597 -4.467602
H -2.256262 0.027144 3.275467
H -1.661975 1.331044 4.323200
H -3.349253 1.317858 3.792151
H 6.604260 -2.713685 0.153084
H 7.293345 -1.220305 0.797404
H 6.922102 -2.562462 1.883662
H -4.654435 0.112907 -1.542874
H -2.229161 -1.329842 2.549958
H -2.683075 -2.878274 1.799775
H -0.986894 -2.380674 1.836078


%chk=000222504-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000222504

0 1
Br -5.076133 -1.487382 0.978979
O -0.588983 0.095829 -4.014473
N 1.267150 1.193918 -0.890572
C 1.253298 2.479396 -0.134978
C 2.623715 0.596369 -1.013474
C 0.558776 1.287087 -2.181646
C -0.084214 2.752046 0.588763
C 3.101890 -0.103274 0.275894
C -0.108730 -0.051163 -2.626434
C -0.318830 1.844017 1.815517
C 4.511816 -0.718858 0.128682
C -1.308693 -0.423814 -1.774354
C -1.709291 2.047742 2.457390
C 5.012093 -1.403715 1.421063
C -1.140794 -1.211602 -0.613641
C -2.602512 0.040580 -2.109100
C -1.903112 1.227816 3.751251
C 6.415355 -2.028615 1.265929
C -2.223947 -1.555120 0.238070
C -3.703919 -0.278907 -1.286726
C -3.500136 -1.062736 -0.133396
C -1.998015 -2.413490 1.465282
H 2.060164 2.439431 0.620374
H 1.497341 3.336328 -0.812051
H 2.598593 -0.154638 -1.827102
H 3.380341 1.363649 -1.321168
H 1.248954 1.617474 -3.005427
H -0.238271 2.048095 -2.111384
H -0.098714 3.815304 0.907829
H -0.925940 2.628953 -0.122938
H 3.105400 0.616849 1.118469
H 2.368218 -0.889700 0.542700
H 0.647827 -0.863284 -2.573974
H -0.203243 0.787594 1.504852
H 0.468853 2.044175 2.573578
H 4.509307 -1.460124 -0.698253
H 5.233425 0.072171 -0.166288
H -1.858320 3.125215 2.678506
H -2.490425 1.768165 1.721734
H 5.025046 -0.660704 2.244434
H 4.287473 -2.187437 1.722343
H -0.138896 -1.570389 -0.349530
H -2.744672 0.621683 -3.024589
H 0.146724 0.463803 -4.567753
H -1.769846 0.146570 3.556712
H -1.165975 1.521583 4.522826
H -2.914244 1.371018 4.174819
H 6.420988 -2.797752 0.470543
H 7.163730 -1.260342 0.993736
H 6.750726 -2.509691 2.202999
H -4.708344 0.069802 -1.543707
H -2.324853 -1.895670 2.386077
H -2.578853 -3.352911 1.409425
H -0.931104 -2.671748 1.572881


