%chk=000226009.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000226009

0 1
Br 1.007787 0.022948 2.282315
O 0.176954 2.488472 -0.194767
O -5.640367 -0.007432 -0.808881
O 6.130857 0.232001 0.406517
C -1.495531 -1.160204 0.445472
C -2.333608 0.102206 0.062942
C -0.095755 -1.093229 -0.174736
C 0.655590 0.173120 0.310921
C -3.734562 -0.282163 0.628401
C 2.022613 0.320037 -0.433879
C -2.417407 -2.330364 0.065552
C -1.662400 1.311894 0.733307
C -3.839823 -1.810561 0.377731
C 0.722819 -2.358250 0.112127
C -0.235300 1.438638 0.237230
C 2.828160 -0.972368 -0.279386
C -2.424395 0.344350 -1.449901
C 2.113972 -2.275628 -0.518661
C 2.821551 1.538158 0.101619
C 1.754910 0.531625 -1.938517
C -4.875084 0.494086 -0.017313
C 4.279252 1.538580 -0.350438
C 4.149977 -0.972766 -0.047654
C 4.970077 0.253812 0.057182
C -5.008450 1.928476 0.411838
H -1.386338 -1.189456 1.561344
H -0.203075 -0.999474 -1.292501
H -3.759052 -0.088897 1.726057
H -2.183222 -3.240466 0.639995
H -2.319715 -2.599241 -0.999762
H -1.675189 1.224538 1.838813
H -2.218741 2.249318 0.513810
H -4.529946 -2.018233 -0.464408
H -4.268035 -2.317028 1.257125
H 0.189029 -3.245305 -0.283793
H 0.810307 -2.538493 1.202951
H -2.929887 1.289226 -1.682940
H -1.440224 0.385512 -1.929214
H -2.994320 -0.450659 -1.950962
H 2.043808 -2.427758 -1.619071
H 2.726108 -3.127645 -0.150419
H 2.803817 1.578315 1.208877
H 2.326831 2.478734 -0.228809
H 1.246388 1.490427 -2.116387
H 2.696453 0.564028 -2.501112
H 1.141486 -0.264120 -2.374554
H 4.816171 2.409974 0.078927
H 4.362995 1.660859 -1.449252
H 4.719894 -1.895857 0.076224
H -5.457796 2.003743 1.411300
H -4.043036 2.453011 0.444232
H -5.668649 2.485311 -0.270995


%chk=000226009-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000226009

0 1
Br 0.923310 0.191522 2.296266
O 0.171804 2.540358 -0.524702
O -5.632022 0.213803 -0.905470
O 6.291341 0.138444 0.476188
C -1.530127 -1.106890 0.357521
C -2.373794 0.139915 -0.062058
C -0.092139 -1.082634 -0.197435
C 0.668482 0.228987 0.187544
C -3.760029 -0.258252 0.592615
C 2.104865 0.333254 -0.469733
C -2.435848 -2.308217 -0.005093
C -1.689131 1.399344 0.531205
C -3.883579 -1.788006 0.289559
C 0.720415 -2.341906 0.174187
C -0.240500 1.491858 0.036163
C 2.874410 -0.980297 -0.207865
C -2.519480 0.298913 -1.598178
C 2.141768 -2.293899 -0.429463
C 2.916213 1.561604 0.057287
C 1.928643 0.484083 -2.026873
C -4.953084 0.567072 0.097276
C 4.414888 1.510173 -0.306785
C 4.208578 -0.992037 0.104299
C 5.068487 0.208960 0.144508
C -5.288458 1.835115 0.871912
H -1.453145 -1.077584 1.465273
H -0.160058 -1.058475 -1.306548
H -3.655704 -0.088935 1.684019
H -2.192516 -3.206211 0.588721
H -2.324008 -2.581698 -1.071548
H -1.695256 1.341583 1.636304
H -2.184885 2.337027 0.224141
H -4.553990 -1.934224 -0.574701
H -4.336120 -2.312867 1.149082
H 0.190536 -3.235010 -0.205477
H 0.774097 -2.433723 1.274399
H -3.119528 1.194103 -1.839415
H -1.540585 0.427536 -2.094652
H -3.031025 -0.563625 -2.056357
H 2.056826 -2.456725 -1.526201
H 2.752959 -3.128460 -0.041562
H 2.832943 1.599532 1.157466
H 2.463696 2.484705 -0.336490
H 1.356599 1.395760 -2.261323
H 2.924674 0.570599 -2.493865
H 1.428151 -0.384093 -2.488264
H 4.956867 2.357594 0.148520
H 4.562707 1.598778 -1.403027
H 4.720540 -1.944181 0.297759
H -5.752261 1.559840 1.840033
H -4.379527 2.416560 1.109982
H -5.999102 2.456727 0.305353


