%chk=000189423.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000189423

0 1
Br 6.317724 1.984633 0.225852
S -1.148840 -4.170189 -0.009316
N -0.378565 0.312922 0.103657
C 0.681141 -0.541570 0.108296
C -1.639411 -0.212744 0.084276
C 2.030849 0.074814 0.144284
C -2.765007 0.752943 0.096876
C 0.526988 -1.944012 0.075413
C -1.872462 -1.601428 0.048544
C -0.767465 -2.458782 0.041825
C 3.005823 -0.423257 1.023836
C 2.333269 1.158041 -0.696571
C -3.877399 0.520947 0.922476
C -2.721233 1.899689 -0.711754
C 4.281905 0.145289 1.052588
C 3.608919 1.728865 -0.675519
C -4.941871 1.425299 0.926217
C -3.791877 2.797814 -0.705327
C 4.568180 1.211743 0.197291
C -4.902551 2.561421 0.110645
C 0.430006 -5.035863 -0.060424
H 1.404954 -2.583333 0.064559
H -2.892002 -1.984517 0.013761
H 2.767030 -1.246945 1.696834
H 1.564363 1.560405 -1.359995
H -3.907118 -0.356112 1.567822
H -1.846459 2.089739 -1.335188
H 5.037167 -0.240994 1.738109
H 3.842039 2.569049 -1.331236
H -5.802978 1.245839 1.567890
H -3.757330 3.685671 -1.334765
H -5.734957 3.263143 0.114521
H 0.207641 -6.112313 -0.117679
H 1.030087 -4.865013 0.840796
H 1.024341 -4.769994 -0.942798


%chk=000189423-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000189423

0 1
Br 6.319475 2.154580 -0.077129
S -1.193954 -4.301919 0.529893
N -0.396244 0.255035 0.047030
C 0.669710 -0.596882 0.139976
C -1.669161 -0.254837 0.097024
C 2.023735 0.030525 0.078398
C -2.787319 0.729131 -0.008543
C 0.502674 -1.998884 0.306463
C -1.906957 -1.647124 0.224122
C -0.805524 -2.528293 0.340696
C 3.199830 -0.721917 -0.183195
C 2.152219 1.431135 0.281287
C -4.114296 0.405673 0.385303
C -2.526150 2.033216 -0.510040
C 4.467712 -0.103995 -0.232133
C 3.410576 2.064506 0.239624
C -5.150940 1.356171 0.271826
C -3.562580 2.981833 -0.625836
C 4.559071 1.286078 -0.015434
C -4.881515 2.647841 -0.237331
C 0.506406 -5.093482 0.610363
H 1.374613 -2.644931 0.425222
H -2.926417 -2.041999 0.213837
H 3.143136 -1.797779 -0.378827
H 1.243341 2.008482 0.472365
H -4.343254 -0.578896 0.807586
H -1.500519 2.275589 -0.803162
H 5.364202 -0.693799 -0.442798
H 3.495015 3.142286 0.404938
H -6.166494 1.092225 0.587321
H -3.344346 3.980431 -1.020627
H -5.687749 3.384527 -0.325924
H 0.315914 -6.173258 0.707164
H 1.061313 -4.738528 1.492507
H 1.069378 -4.901537 -0.316170


