%chk=000064615.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000064615

0 1
 Br   4.905800      -3.586100      0.1838000    
 O    1.876100      0.7225000     -0.1003000    
 O    3.145100       2.630800     -0.1874000    
 N   -1.755600       1.349900     -0.1719000    
 N    6.594300      0.1938000      8.9999998E-04
 C   -2.910700      0.4580000     -9.7400002E-02
 C   -4.077800      -1.504900      -1.189900    
 C   -4.138700      -1.245400       1.316500    
 C   -5.438200      0.3440000     -0.1470000    
 C   -2.860100     -0.5667000      -1.252300    
 C   -2.920800     -0.3083000       1.244000    
 C   -4.215500       1.275300     -0.2137000    
 C   -4.072700      -2.251100      0.1549000    
 C   -5.365000     -0.6702000      -1.301100    
 C   -5.425600     -0.4119000       1.192600    
 C  -0.5115000      0.5816000     -0.1283000    
 C   -1.790900       2.326200      0.9169000    
 C   0.6932000       1.508400     -0.1617000    
 C    3.064900       1.408700     -0.1206000    
 C    4.205900      0.4944000     -5.3500000E-02
 C    4.011200     -0.8746000      1.9800000E-02
 C    5.496900      0.9810000     -6.0300000E-02
 C    5.115500      -1.717000      8.4200002E-02
 C    6.374400      -1.138300      7.1800001E-02
 H   -4.033500      -2.226200      -2.013600    
 H   -4.138000      -1.783300       2.271400    
 H   -6.358600      0.9326000     -0.2315000    
 H   -1.980200      -1.216900      -1.208200    
 H   -2.837000     -5.4900002E-02  -2.223400    
 H   -2.976100      0.3659000       2.106400    
 H   -2.037000     -0.9377000       1.385800    
 H   -4.233200       1.840300      -1.155100    
 H   -4.356300       1.997500      0.5949000    
 H   -4.927200      -2.937100      0.2051000    
 H   -3.167400      -2.864700      0.2406000    
 H   -5.388600     -0.1446000      -2.263700    
 H   -6.241700      -1.329200      -1.276500    
 H   -6.303100      -1.066700       1.260600    
 H   -5.494100      0.2986000       2.025500    
 H  -0.3942000     -6.7699999E-02  -1.001100    
 H  -0.3978000     -5.0000001E-02  0.7577000    
 H   -1.515000       1.911400       1.892900    
 H   -2.729700       2.869700       1.027100    
 H   -1.091700       3.143400      0.7029000    
 H   0.7225000       2.177400      0.7035000    
 H   0.6960000       2.102800      -1.083600    
 H    3.017600      -1.314300      2.8800000E-02
 H    5.711500       2.043600     -0.1158000    
 H    7.277000      -1.740000      0.1194000    


%chk=000064615-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000064615

0 1
Br 5.463418 -3.286814 1.409934
O 1.913668 0.570287 -0.142376
O 3.044065 2.281212 -1.258817
N -1.724571 1.306389 0.383636
N 6.712569 0.203539 -0.611795
C -2.935204 0.426664 0.197332
C -4.021657 -1.286855 -1.371850
C -4.412762 -1.450424 1.130355
C -5.463458 0.426681 -0.208993
C -2.778528 -0.390786 -1.121747
C -3.160588 -0.564917 1.386288
C -4.210618 1.308358 0.048925
C -4.210351 -2.262212 -0.178125
C -5.277968 -0.389251 -1.514127
C -5.664435 -0.543466 0.986302
C -0.425984 0.604376 0.532096
C -1.852778 2.415767 1.354502
C 0.612827 1.277298 -0.374742
C 3.054916 1.184449 -0.649587
C 4.283881 0.376785 -0.378604
C 4.237649 -0.872336 0.291780
C 5.541327 0.872285 -0.810147
C 5.450218 -1.556197 0.492020
C 6.666851 -0.999430 0.032532
H -3.867444 -1.864989 -2.304285
H -4.551269 -2.145506 1.982412
H -6.348562 1.086497 -0.303533
H -1.877396 -1.033165 -1.079372
H -2.633981 0.320604 -1.958308
H -3.289230 0.004408 2.329235
H -2.268553 -1.211282 1.512275
H -4.059527 2.026160 -0.781622
H -4.382378 1.894798 0.971678
H -5.086507 -2.916466 -0.358861
H -3.323625 -2.921130 -0.082585
H -5.161931 0.294693 -2.378662
H -6.174814 -1.012101 -1.704646
H -6.567515 -1.164893 0.822659
H -5.827614 0.031185 1.920525
H -0.517790 -0.454154 0.238595
H -0.055938 0.611528 1.582189
H -2.076935 2.082899 2.397341
H -2.634335 3.125728 1.040552
H -0.902343 2.977749 1.384680
H 0.745325 2.349534 -0.147073
H 0.342617 1.174831 -1.439781
H 3.281078 -1.274191 0.633066
H 5.600595 1.833683 -1.329563
H 7.619985 -1.517824 0.178394


