%chk=000269228.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000269228

0 1
Br 4.599488 1.592504 0.000257
N 1.841544 -1.523748 -0.000144
N 1.985531 1.290016 0.000205
C 0.712290 -0.764318 -0.000072
C 0.776658 0.660627 0.000107
C -0.583358 -1.486458 -0.000189
C -0.439549 1.505983 0.000197
C 3.050933 -0.901087 -0.000047
C -1.191773 -1.823478 -1.217533
C -1.192075 -1.823340 1.217044
C -1.011715 1.902330 1.217477
C -1.011774 1.902515 -1.216994
C 3.079509 0.518570 0.000123
C -2.418641 -2.492911 -1.212159
C -2.418939 -2.492775 1.211441
C -2.165968 2.690305 1.212075
C -2.166027 2.690487 -1.211416
C 4.289841 -1.718300 -0.000113
C -3.032900 -2.826069 -0.000416
C -2.744251 3.082728 0.000373
H -0.708792 -1.569462 -2.159448
H -0.709329 -1.569211 2.159048
H -0.555007 1.603506 2.159272
H -0.555112 1.603831 -2.158856
H -2.895558 -2.756619 -2.154927
H -2.896090 -2.756378 2.154120
H -2.613619 3.001103 2.154781
H -2.613731 3.001422 -2.154052
H 4.909068 -1.505513 -0.886717
H 4.073600 -2.800066 -0.000243
H 4.909025 -1.505720 0.886570
H -3.988987 -3.346787 -0.000505
H -3.643494 3.696214 0.000441


%chk=000269228-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000269228

0 1
Br 4.812082 1.516727 0.000358
N 1.858255 -1.500483 -0.000245
N 1.980843 1.300119 0.000312
C 0.706970 -0.755180 -0.000100
C 0.760367 0.673789 0.000189
C -0.590536 -1.506144 -0.000305
C -0.463437 1.537693 0.000372
C 3.075170 -0.876704 -0.000118
C -1.204642 -1.873722 -1.222999
C -1.205785 -1.872480 1.222187
C -1.040827 1.960354 1.223248
C -1.041390 1.960088 -1.222330
C 3.084642 0.550138 0.000167
C -2.418954 -2.595092 -1.223126
C -2.420093 -2.593855 1.221911
C -2.182469 2.791619 1.223263
C -2.183033 2.791352 -1.221999
C 4.312290 -1.734825 -0.000282
C -3.030825 -2.956173 -0.000709
C -2.757502 3.208630 0.000719
H -0.729212 -1.601678 -2.172478
H -0.731257 -1.599455 2.171836
H -0.592111 1.646284 2.172794
H -0.593127 1.645794 -2.172015
H -2.884554 -2.875301 -2.174510
H -2.886578 -2.873102 2.173144
H -2.619704 3.114547 2.174543
H -2.620709 3.114071 -2.173147
H 4.940558 -1.530969 -0.886613
H 4.011888 -2.793273 -0.000492
H 4.940549 -1.531320 0.886137
H -3.973039 -3.515563 -0.000866
H -3.643033 3.854017 0.000853


