%chk=000193712.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000193712

1 1
Br 4.600167 3.754724 0.251053
N -4.315319 1.545567 0.134229
N 0.518669 -1.528122 -0.127668
N 1.108649 -0.474322 0.204537
C -4.008219 0.468119 -0.920228
C -3.043446 2.219494 0.596963
C -5.221826 2.585021 -0.492424
C -5.017366 0.934186 1.325799
C -3.129423 -0.634960 -0.393318
C -1.736108 -0.503725 -0.465319
C -3.702206 -1.802588 0.128473
C -0.920266 -1.544645 0.007747
C -2.879240 -2.837093 0.591315
C -1.491101 -2.718458 0.538009
C 2.538656 -0.403262 0.048715
C 4.513800 0.920099 0.530049
C 3.130322 0.723374 0.647844
C 3.320436 -1.333401 -0.663216
C 5.291022 -0.000461 -0.192269
C 4.694001 -1.120371 -0.779872
C 5.150730 2.106252 1.170750
H -3.526789 0.955960 -1.803831
H -4.973149 0.049500 -1.298127
H -2.484241 2.666141 -0.246061
H -3.246184 3.026701 1.324857
H -2.357768 1.499896 1.092921
H -6.176071 2.144901 -0.838645
H -5.479686 3.390211 0.222520
H -4.747014 3.071591 -1.365746
H -5.955823 0.428315 1.033903
H -4.379532 0.174571 1.824180
H -5.272613 1.694170 2.087517
H -1.271286 0.381981 -0.899617
H -4.783532 -1.929534 0.160117
H -3.329555 -3.750597 0.990110
H -0.844855 -3.528287 0.891805
H 2.515651 1.444095 1.190891
H 2.854548 -2.208817 -1.121132
H 6.365982 0.157167 -0.300791
H 5.308186 -1.832033 -1.335800
H 6.256954 2.077954 1.135282
H 4.857144 2.219186 2.232281


%chk=000193712-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000193712

1 1
Br 5.279569 3.323507 -1.459288
N -4.335400 1.560127 0.379249
N 0.552512 -1.611992 0.031761
N 1.088082 -0.418335 0.072578
C -3.864714 0.688149 -0.852842
C -3.131550 2.095104 1.149100
C -5.147771 2.733677 -0.163027
C -5.205661 0.729854 1.316160
C -3.053678 -0.533017 -0.491439
C -1.647610 -0.443326 -0.382151
C -3.692412 -1.795188 -0.323154
C -0.879042 -1.598243 -0.075516
C -2.927656 -2.944723 -0.027911
C -1.525216 -2.849502 0.095054
C 2.514870 -0.395521 0.123103
C 4.493973 1.059365 0.264983
C 3.089370 0.896767 0.225585
C 3.347924 -1.551657 0.063719
C 5.315456 -0.097070 0.200232
C 4.743133 -1.390290 0.102349
C 5.103083 2.424536 0.382093
H -3.290132 1.388875 -1.482671
H -4.800245 0.421810 -1.374065
H -2.506214 2.693215 0.468638
H -3.493562 2.725669 1.975940
H -2.548146 1.251438 1.543280
H -6.018176 2.347226 -0.715187
H -5.487786 3.358272 0.677449
H -4.514669 3.330872 -0.837028
H -6.090591 0.375007 0.765814
H -4.623714 -0.128763 1.679562
H -5.520456 1.361053 2.161573
H -1.110095 0.497020 -0.551982
H -4.777817 -1.886135 -0.454704
H -3.421023 -3.914442 0.087780
H -0.909235 -3.728585 0.308542
H 2.421661 1.764953 0.258257
H 2.885552 -2.539548 -0.016430
H 6.405808 0.014464 0.218546
H 5.396244 -2.267517 0.054351
H 6.132500 2.409450 0.766380
H 4.485134 3.131944 0.953120


