%chk=000174307.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000174307

1 1
 Br   7.081300      0.8885000     -5.6200001E-02
 O   -6.142800       1.986900      -1.196600    
 N    1.543300      -1.606500     -8.1299998E-02
 N   -4.809100     -9.9799998E-02  0.1463000    
 C    2.996700      0.1235000      4.4000000E-03
 C   0.8454000     -0.5050000      1.2500000E-02
 C    1.744200      0.6589000      7.5499997E-02
 C    2.908300      -1.236400     -9.0899996E-02
 C    4.180600      0.8525000      2.0700000E-02
 C  -0.6134000     -0.4010000      4.6999998E-02
 C    1.574800       2.024400      0.1604000    
 C    4.055100      -1.999900     -0.1771000    
 C    1.154100      -3.018500     -0.1353000    
 C    4.026700       2.251500      0.1172000    
 C    5.361700      8.6199999E-02 -6.4800002E-02
 C   -3.402700     -0.2007000      0.1131000    
 C   -1.338800     -0.2681000      -1.141300    
 C   -1.293700     -0.4330000       1.268600    
 C    2.733500       2.821600      0.1842000    
 C    5.289400      -1.323400     -0.1621000    
 C   -2.729700     -0.1681000      -1.108400    
 C   -2.684600     -0.3331000       1.301700    
 C   -5.450500      0.9793000      0.8710000    
 C   -5.631700      -1.081500     -0.5320000    
 C   -5.459300       2.240700      2.4400000E-02
 C   -5.938700      -2.238700      0.3990000    
 H   0.5914000       2.477500      0.2095000    
 H    4.028400      -3.081100     -0.2540000    
 H   6.4800002E-02  -3.098800     -9.8499998E-02
 H    1.585300      -3.538000      0.7250000    
 H    1.517900      -3.449200      -1.072400    
 H    4.886400       2.915200      0.1381000    
 H  -0.8258000     -0.2389000      -2.099400    
 H  -0.7455000     -0.5383000       2.201600    
 H    2.634400       3.902300      0.2542000    
 H    6.200700      -1.914900     -0.2290000    
 H   -3.272600     -5.4499999E-02  -2.043100    
 H   -3.192600     -0.3720000       2.261700    
 H   -4.957300       1.175900       1.829400    
 H   -6.485100      0.7004000       1.107000    
 H   -6.576100     -0.6311000     -0.8596000    
 H   -5.147600      -1.460700      -1.439300    
 H   -4.442700       2.572500     -0.2104000    
 H   -5.978000       3.047200      0.5521000    
 H   -5.022300      -2.748800      0.7139000    
 H   -6.457900      -1.897300       1.300800    
 H   -6.578000      -2.971300     -0.1035000    
 H   -6.131500       2.814500      -1.706900    


%chk=000174307-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000174307

1 1
Br 7.283928 0.543228 -0.864706
O -6.787668 1.764825 1.172969
N 1.672261 -1.192760 1.008986
N -4.816405 -0.085054 -0.015396
C 3.134903 -0.022057 -0.291204
C 0.893242 -0.404183 0.157188
C 1.824088 0.360119 -0.692715
C 3.058718 -0.967858 0.755654
C 4.340488 0.492401 -0.825941
C -0.546604 -0.354455 0.146319
C 1.701646 1.364448 -1.674628
C 4.230677 -1.482035 1.319091
C 1.203167 -2.244514 1.927502
C 4.187795 1.480617 -1.851528
C 5.542101 -0.051664 -0.240906
C -3.443888 -0.168823 0.040916
C -1.243363 -0.085923 -1.081682
C -1.355655 -0.518580 1.321645
C 2.897890 1.898093 -2.245141
C 5.476165 -1.006625 0.790432
C -2.631019 -0.012523 -1.142681
C -2.743875 -0.414645 1.279993
C -5.671899 -0.362173 1.161307
C -5.540693 0.282791 -1.267083
C -5.974989 0.881101 2.015437
C -5.848583 -0.937001 -2.162432
H 0.732480 1.756300 -1.995950
H 4.239875 -2.207752 2.137559
H 0.229697 -2.629906 1.588410
H 1.106515 -1.868604 2.961212
H 1.928421 -3.074168 1.918912
H 5.072067 1.923897 -2.320677
H -0.676108 -0.010971 -2.014716
H -0.879013 -0.646640 2.298134
H 2.808321 2.670048 -3.015844
H 6.405657 -1.395583 1.215426
H -3.102819 0.134772 -2.116370
H -3.295399 -0.487928 2.220002
H -5.216858 -1.145552 1.790895
H -6.633293 -0.760890 0.793102
H -6.470214 0.783647 -0.952392
H -4.952047 1.039558 -1.813754
H -5.034892 1.379874 2.329864
H -6.533034 0.558351 2.919511
H -4.929045 -1.452731 -2.490593
H -6.480601 -1.671915 -1.632812
H -6.399262 -0.608041 -3.061411
H -7.066473 2.568384 1.677298


