%chk=000239979.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000239979

0 1
Br 0.853847 3.318269 0.361310
O 4.311295 0.217681 0.390961
N 0.175872 0.830120 0.173956
N -0.096849 -1.571766 0.016454
C 2.125486 -0.624728 0.207823
C 1.524668 0.652245 0.245987
C -0.615919 -0.288549 0.059961
C -2.078908 -0.114656 -0.019293
C 1.241590 -1.720687 0.089532
C 2.252014 1.944256 0.366245
C 3.600543 -0.763120 0.289845
C -2.924425 -1.234215 -0.136537
C -2.636543 1.177672 0.022288
C -4.307208 -1.059279 -0.210825
C -4.020879 1.342513 -0.052685
C 4.177999 -2.145728 0.243769
C -4.856479 0.226949 -0.169088
H 1.612589 -2.754783 0.051589
H 2.956624 2.122937 -0.471847
H 2.848301 2.019055 1.298822
H -2.496840 -2.240337 -0.169312
H -1.981965 2.051694 0.113481
H -4.958773 -1.927006 -0.301466
H -4.448920 2.343455 -0.020242
H 3.938279 -2.665117 -0.693487
H 3.829029 -2.769925 1.076973
H 5.278454 -2.108596 0.313848
H -5.936584 0.359446 -0.227361


%chk=000239979-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000239979

0 1
Br 1.227363 3.688271 0.390895
O 4.377024 0.222267 0.402107
N 0.134820 0.830514 0.170984
N -0.115351 -1.585490 0.017043
C 2.115165 -0.576173 0.212420
C 1.482142 0.722315 0.247788
C -0.630650 -0.306327 0.058222
C -2.096069 -0.139917 -0.021331
C 1.233102 -1.687376 0.094158
C 2.309738 1.987360 0.371396
C 3.592103 -0.771206 0.292259
C -2.941304 -1.278030 -0.141472
C -2.668880 1.162210 0.021617
C -4.338077 -1.113787 -0.217580
C -4.066559 1.318919 -0.054981
C 4.158346 -2.186656 0.237677
C -4.904729 0.183654 -0.174672
H 1.630229 -2.707482 0.060620
H 3.016321 2.091534 -0.465245
H 2.898431 1.995727 1.300679
H -2.481344 -2.269971 -0.173091
H -1.999614 2.023041 0.114396
H -4.986906 -1.991424 -0.310100
H -4.505008 2.321991 -0.021615
H 3.886368 -2.692824 -0.706967
H 3.777004 -2.806056 1.070432
H 5.254442 -2.126197 0.309041
H -5.991809 0.308911 -0.233980


