%chk=000299940.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000299940

0 1
Br 1.348531 3.174784 -2.135660
S -1.492362 0.794257 2.089202
O -1.673788 2.085154 2.711335
O -1.794176 -0.414367 2.827572
O 1.333572 0.203141 -2.380235
O 2.774939 -3.914884 -0.045854
N 0.188422 0.735037 1.679054
C 0.814941 -0.472803 1.215787
C 1.416479 -0.562098 -0.061977
C -2.266600 0.732788 0.554351
C 0.964760 1.942941 1.680196
C 0.839141 -1.578837 2.086604
C 1.367853 0.550185 -1.033367
C 2.078416 -1.737620 -0.428349
C 2.099435 -2.826209 0.461444
C -3.140705 -0.319749 0.256625
C -2.026511 1.727909 -0.401501
C 1.469794 -2.763720 1.712664
C 1.582046 2.435723 0.591110
C 1.453149 1.865398 -0.739200
C -3.534738 0.618806 -1.945948
C -3.772741 -0.379885 -0.984554
C -2.650496 1.670129 -1.647314
C -4.200720 0.553268 -3.278706
C 0.198557 -0.612103 -2.775290
C 2.909042 -5.079883 0.803750
H 0.988018 2.449270 2.655546
H 0.339324 -1.511786 3.060982
H 2.581571 -1.815299 -1.395086
H -3.328574 -1.102640 1.002417
H -1.342802 2.557055 -0.183068
H 1.469636 -3.610931 2.392617
H 2.190641 3.343280 0.670638
H -4.454042 -1.199190 -1.206602
H -2.450420 2.445478 -2.386517
H -3.586873 -0.012029 -3.997089
H -5.181575 0.058597 -3.236146
H -4.366278 1.549032 -3.715346
H 0.376698 -0.729389 -3.851125
H -0.730438 -0.066067 -2.582399
H 0.211269 -1.577972 -2.263342
H 3.494808 -5.754240 0.164659
H 1.926100 -5.505076 1.024879
H 3.460897 -4.827254 1.713747


%chk=000299940-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000299940

0 1
Br 5.006420 2.456807 -2.608477
S -1.603755 0.742432 1.287065
O -1.175959 -0.724948 2.064503
O -0.476057 1.275482 0.146855
O 2.560028 0.919733 -2.254090
O 0.176878 -2.815329 -0.129574
N 4.060531 0.562081 2.025346
C 3.024344 -0.077558 1.385279
C 2.725098 -0.166998 -0.058767
C -3.015014 0.139855 0.142413
C 5.074903 1.240640 1.462400
C 2.182914 -0.818413 2.277312
C 3.229475 0.759777 -1.071271
C 1.803253 -1.146840 -0.483156
C 1.027784 -1.893447 0.431290
C -3.135751 0.689497 -1.145753
C -3.917685 -0.827200 0.621114
C 1.179115 -1.680741 1.841254
C 5.294780 1.659316 0.122026
C 4.448682 1.495690 -0.990368
C -5.124768 -0.719364 -1.528351
C -4.190127 0.250085 -1.978258
C -4.968081 -1.255253 -0.222696
C -6.277103 -1.158115 -2.415818
C 1.062362 0.979604 -2.359419
C -0.824366 -3.471526 0.741385
H 5.850744 1.546560 2.177756
H 2.392920 -0.695465 3.342494
H 1.623578 -1.319578 -1.545256
H -2.397663 1.424186 -1.487259
H -3.784262 -1.252780 1.622293
H 0.580443 -2.235586 2.562905
H 6.205123 2.246947 -0.038504
H -4.290038 0.666045 -2.988591
H -5.675443 -2.012641 0.137237
H -7.154170 -0.495088 -2.282634
H -6.001640 -1.124516 -3.484730
H -6.604521 -2.185550 -2.178370
H 0.723892 0.102523 -2.934447
H 0.879403 1.900609 -2.936046
H 0.567483 1.015481 -1.362951
H -1.478154 -4.018157 0.047466
H -1.373240 -2.682552 1.293697
H -0.328156 -4.177506 1.433200


