%chk=000222506.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000222506

0 1
Br 5.027746 3.206820 -1.504192
N -0.464459 -0.577812 0.216963
C 0.452577 -1.764251 0.176109
C 0.498456 -2.598289 1.477908
C 0.056597 -2.654644 -1.022891
C 1.483053 -3.765414 1.327695
C 1.034135 -3.827440 -1.166155
C 1.118530 -4.650331 0.127073
C 0.066846 0.522026 1.087776
C -1.873123 -0.920188 0.596180
C 1.282565 1.151228 0.449943
C -2.812526 0.182424 0.164666
C 2.445287 1.360598 1.205777
C 1.244064 1.557016 -0.894178
C -3.761418 0.686806 1.065742
C -2.760089 0.686665 -1.143902
C 3.561978 1.974072 0.628642
C 2.354895 2.166732 -1.480419
C -4.652248 1.684161 0.657407
C -3.649623 1.685533 -1.545336
C 3.501610 2.368860 -0.708215
C -4.598513 2.185210 -0.646515
H 1.482815 -1.357978 -0.019268
H -0.505284 -2.991273 1.721343
H 0.795982 -1.960254 2.328995
H 0.047333 -2.046213 -1.947481
H -0.976348 -3.032710 -0.898188
H 1.491950 -4.370676 2.253262
H 2.512602 -3.376057 1.207104
H 2.039121 -3.447903 -1.435136
H 0.719570 -4.475394 -2.005598
H 1.866406 -5.456763 0.012499
H 0.150718 -5.153752 0.313527
H 0.288799 0.182541 2.123355
H -0.723596 1.308209 1.180670
H -1.988093 -1.137002 1.680947
H -2.161071 -1.858817 0.060584
H 2.487995 1.047303 2.247560
H 0.338426 1.381131 -1.479379
H -3.810640 0.305300 2.082958
H -2.013303 0.298469 -1.837183
H 4.462645 2.136752 1.220937
H 2.321165 2.478573 -2.524656
H -5.388957 2.071697 1.358799
H -3.604762 2.076074 -2.560499
H -5.291711 2.961864 -0.961730


%chk=000222506-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000222506

0 1
Br 5.108585 3.301289 -1.593277
N -0.471072 -0.604841 0.282139
C 0.412784 -1.811082 0.196827
C 0.419039 -2.704991 1.471081
C 0.100163 -2.661637 -1.058150
C 1.428039 -3.870959 1.328742
C 1.102001 -3.834303 -1.202335
C 1.129809 -4.717371 0.068014
C 0.106542 0.508411 1.074218
C -1.882088 -0.881240 0.650237
C 1.334156 1.139326 0.425627
C -2.839104 0.231655 0.227081
C 2.417735 1.591370 1.216841
C 1.391400 1.336251 -0.976857
C -3.848207 0.689391 1.109512
C -2.761430 0.794754 -1.072156
C 3.534562 2.234377 0.633539
C 2.497664 1.972202 -1.580688
C -4.766979 1.685307 0.703580
C -3.674991 1.790237 -1.480943
C 3.557874 2.416373 -0.763088
C -4.683249 2.238911 -0.594163
H 1.440421 -1.414128 0.064938
H -0.595243 -3.124834 1.630877
H 0.664639 -2.098010 2.365249
H 0.130590 -2.007769 -1.950160
H -0.927511 -3.076015 -0.993746
H 1.404008 -4.508530 2.234054
H 2.456031 -3.458636 1.255545
H 2.117715 -3.425668 -1.383762
H 0.841751 -4.444785 -2.088694
H 1.884586 -5.520178 -0.041520
H 0.145558 -5.216324 0.188230
H 0.360472 0.206158 2.120868
H -0.683354 1.281006 1.160070
H -2.010643 -1.063352 1.745682
H -2.178240 -1.818444 0.142279
H 2.397462 1.442700 2.303520
H 0.559953 0.972793 -1.589658
H -3.914047 0.265856 2.120023
H -1.970996 0.446909 -1.746807
H 4.366374 2.579325 1.254394
H 2.532333 2.120762 -2.663979
H -5.540808 2.030931 1.398603
H -3.604206 2.216954 -2.488161
H -5.391979 3.012755 -0.910128


