%chk=000186738.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000186738

0 1
Br -4.382335 -1.929171 1.694397
S 0.184702 -2.310052 -0.938988
O 0.475913 2.595823 0.173539
N 2.108129 -0.413280 -0.783414
N 0.023887 0.331329 -0.261998
C 2.308330 0.991681 -0.300658
C 3.120602 1.063503 1.000038
C 4.389919 0.209261 0.895481
C 3.273089 -1.329976 -0.780055
C 4.049131 -1.243707 0.542381
C 0.862509 1.489846 -0.082786
C 0.789372 -0.817579 -0.631022
C -1.417647 0.343877 -0.152285
C -2.071680 -0.648919 0.596356
C -2.136117 1.376909 -0.778441
C -3.462663 -0.589868 0.683981
C -3.527194 1.405177 -0.662238
C -4.203272 0.419489 0.065427
H 2.801487 1.582835 -1.114854
H 2.508749 0.718713 1.859395
H 3.376281 2.120265 1.217462
H 4.940812 0.244557 1.856157
H 5.076367 0.635034 0.137479
H 3.920688 -1.038599 -1.639477
H 2.928762 -2.375415 -0.971574
H 4.974078 -1.847750 0.465940
H 3.456919 -1.704735 1.358991
H -1.510316 -1.449112 1.086981
H -1.614620 2.154711 -1.337459
H -4.092706 2.203109 -1.145223
H -5.290479 0.445945 0.145068


%chk=000186738-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000186738

0 1
Br -4.510854 -1.932001 1.660457
S 0.172911 -2.425912 -1.005486
O 0.458069 2.563064 0.297559
N 2.086290 -0.490560 -0.572592
N -0.005679 0.284561 -0.270891
C 2.266791 0.924586 -0.204703
C 3.158911 1.064900 1.055277
C 4.473252 0.274808 0.841669
C 3.263999 -1.353899 -0.726074
C 4.183618 -1.211677 0.512182
C 0.826854 1.409259 -0.020479
C 0.768842 -0.883483 -0.611267
C -1.441818 0.333454 -0.182075
C -2.136204 -0.651685 0.560618
C -2.138318 1.392316 -0.808685
C -3.537441 -0.562261 0.643122
C -3.542546 1.460241 -0.695305
C -4.260216 0.479561 0.027134
H 2.736278 1.481028 -1.043181
H 2.615413 0.663815 1.931838
H 3.349755 2.136372 1.241641
H 5.102062 0.345612 1.748023
H 5.052104 0.733888 0.013573
H 3.811440 -1.060593 -1.645189
H 2.901885 -2.387959 -0.857126
H 5.127062 -1.755257 0.319310
H 3.695176 -1.694477 1.380427
H -1.591332 -1.465506 1.042067
H -1.588423 2.155262 -1.365034
H -4.087609 2.278686 -1.176168
H -5.349572 0.527759 0.107958


