%chk=000030577.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000030577

0 1
 Br -0.2165000       5.797000      0.6427000    
 O  -0.8299000       2.758800      0.3544000    
 C    3.888300      -1.471400     -0.4394000    
 C    5.257300      -1.181800      0.2008000    
 C    3.233200      -2.709400      0.1977000    
 C    6.172800      -2.403400      0.1380000    
 C    4.157000      -3.924600      0.1349000    
 C    5.516700      -3.631500      0.7624000    
 C    2.973900     -0.2609000     -0.3906000    
 C    2.575600      0.2631000      0.8393000    
 C    2.531500      0.3271000      -1.575400    
 C    1.304700       1.946600     -0.3014000    
 C    1.734700       1.375000      0.8842000    
 C    1.690600       1.439200      -1.530400    
 C   0.3935000       3.152100     -0.2528000    
 C   -3.499300      0.2261000     -0.4095000    
 C   -4.822900     -0.1120000      0.2802000    
 C   -2.766400       1.350300      0.3213000    
 C   -5.589800      -1.250500     -0.3986000    
 C   -1.467800       1.723000     -0.3799000    
 C   -6.876900      -1.638600      0.3325000    
 C    1.024600       4.291700      0.5391000    
 C   -7.562600      -2.825200     -0.3464000    
 C   -8.822200      -3.240600      0.3969000    
 H    4.073100      -1.714000      -1.495900    
 H    5.740800     -0.3399000     -0.3103000    
 H    5.141000     -0.8840000       1.250500    
 H    2.976700      -2.517700       1.247200    
 H    2.292000      -2.942800     -0.3156000    
 H    6.425900      -2.616300     -0.9079000    
 H    7.113700      -2.185100      0.6557000    
 H    3.688100      -4.770400      0.6503000    
 H    4.294500      -4.224800     -0.9112000    
 H    6.172900      -4.500800      0.6423000    
 H    5.393400      -3.470400       1.840500    
 H    2.905400     -0.1806000       1.774400    
 H    2.832300     -6.9300003E-02  -2.541500    
 H    1.423800       1.759100       1.850900    
 H    1.351900       1.888100      -2.459500    
 H   0.1747000       3.513600      -1.267000    
 H   -3.695100      0.5239000      -1.446600    
 H   -2.864400     -0.6674000     -0.4432000    
 H   -5.459000      0.7814000      0.3070000    
 H   -4.622900     -0.3891000       1.322900    
 H   -3.406400       2.238600      0.3921000    
 H   -2.550100       1.052900       1.355100    
 H   -4.935100      -2.128700     -0.4631000    
 H   -5.829900     -0.9589000      -1.428600    
 H  -0.8563000      0.8171000     -0.4321000    
 H   -1.680500       2.069400      -1.398400    
 H   -7.557900     -0.7796000      0.3582000    
 H   -6.642100      -1.896800       1.372300    
 H    1.214800       4.036200       1.585400    
 H    1.944800       4.662900      7.9300001E-02
 H   -7.822000      -2.564000      -1.378900    
 H   -6.875600      -3.678400     -0.3902000    
 H   -9.544800      -2.419100      0.4333000    
 H   -8.590800      -3.540900       1.423800    
 H   -9.297000      -4.088700     -0.1062000    


%chk=000030577-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000030577

0 1
Br -0.365356 5.628386 0.087826
O -0.916539 2.356711 0.237928
C 4.564759 -1.333704 -0.415345
C 5.621127 -1.050251 0.693412
C 4.007780 -2.780210 -0.265142
C 6.754129 -2.103639 0.684986
C 5.142093 -3.832396 -0.273305
C 6.192733 -3.538619 0.823712
C 3.455031 -0.285802 -0.428845
C 2.602670 -0.099124 0.693402
C 3.241201 0.533782 -1.566023
C 1.382067 1.693094 -0.457833
C 1.583490 0.874251 0.682258
C 2.219284 1.509676 -1.583306
C 0.303584 2.783586 -0.450430
C -3.931724 0.107967 -0.438450
C -5.212712 -0.180058 0.376179
C -2.988061 1.105831 0.271293
C -6.165004 -1.183794 -0.312412
C -1.719296 1.392634 -0.535773
C -7.445356 -1.467597 0.504741
C 0.830227 4.002550 0.314134
C -8.396600 -2.477774 -0.177175
C -9.672792 -2.754705 0.646654
H 5.092687 -1.284594 -1.392037
H 6.037054 -0.033130 0.558125
H 5.120985 -1.060174 1.683765
H 3.445821 -2.856338 0.688539
H 3.283850 -2.985189 -1.077462
H 7.319953 -2.024639 -0.266743
H 7.471845 -1.890959 1.501000
H 4.716575 -4.845661 -0.137066
H 5.640026 -3.825702 -1.265417
H 7.014937 -4.278582 0.775245
H 5.718367 -3.649508 1.821037
H 2.738067 -0.721732 1.585935
H 3.880552 0.402784 -2.447876
H 0.919597 0.997480 1.545782
H 2.071202 2.127731 -2.478462
H 0.071027 3.075244 -1.498553
H -4.215184 0.507190 -1.434846
H -3.394740 -0.845705 -0.624993
H -5.752602 0.772618 0.557073
H -4.929778 -0.570818 1.375933
H -3.514280 2.062622 0.453715
H -2.696514 0.707815 1.262969
H -5.625341 -2.137550 -0.491440
H -6.447828 -0.794508 -1.313064
H -1.135679 0.462399 -0.707284
H -1.972120 1.834579 -1.525447
H -7.988851 -0.515368 0.679310
H -7.163624 -1.851873 1.507626
H 0.858407 3.809157 1.397230
H 1.814547 4.321519 -0.057671
H -8.677593 -2.093654 -1.179212
H -7.852900 -3.429008 -0.350797
H -10.250389 -1.824656 0.807055
H -9.419919 -3.166952 1.641898
H -10.334894 -3.480030 0.138649


