%chk=000224592.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000224592

0 1
Br -2.841006 2.945485 -0.154296
S 1.017930 -0.862265 1.784883
O 1.622038 -2.016029 2.402205
O 0.461543 0.227641 2.539008
N 2.104316 -0.215755 0.657372
N -0.240920 -1.588630 0.831716
C 2.832021 -1.165842 -0.231527
C 1.779398 1.099386 0.033803
C 4.116635 -0.508347 -0.764349
C 3.061587 1.759181 -0.500559
C 3.810100 0.824363 -1.458400
C -1.280838 -0.917035 0.150253
C -1.530211 0.455709 0.355403
C -2.065362 -1.645256 -0.776433
C -2.523939 1.068992 -0.402228
C -3.059630 -0.995105 -1.502368
C -3.294499 0.375990 -1.334217
H 2.192794 -1.489369 -1.083748
H 3.098025 -2.073803 0.360438
H 1.318802 1.757234 0.809879
H 1.040649 0.982926 -0.791876
H 4.625761 -1.201282 -1.459286
H 4.819187 -0.337147 0.076822
H 3.720901 2.027660 0.349879
H 2.803417 2.708593 -1.005832
H 4.749728 1.300938 -1.795932
H 3.208938 0.651418 -2.371291
H -0.293468 -2.617470 0.806784
H -0.997548 1.020176 1.130255
H -1.895539 -2.708722 -0.923672
H -3.663724 -1.558303 -2.215618
H -4.067187 0.876768 -1.914369


%chk=000224592-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000224592

0 1
Br -3.588198 2.717002 0.428974
S 0.993421 -0.867479 1.894127
O 1.714327 -2.149212 2.566181
O 0.474277 0.411037 2.732595
N 2.234489 -0.171140 0.674153
N -0.617987 -1.678775 1.146567
C 2.862423 -1.195568 -0.193725
C 1.792710 1.060950 -0.029320
C 4.156784 -0.564869 -0.769691
C 3.069440 1.731786 -0.596322
C 3.843075 0.754788 -1.512025
C -1.428256 -0.936301 0.255210
C -1.987489 0.299244 0.699207
C -1.748709 -1.433236 -1.041737
C -2.834055 1.004804 -0.170089
C -2.637459 -0.717448 -1.869317
C -3.181191 0.520200 -1.451584
H 2.192894 -1.496612 -1.033448
H 3.097924 -2.080678 0.421512
H 1.289655 1.718745 0.698760
H 1.089102 0.832242 -0.860862
H 4.634061 -1.297572 -1.447812
H 4.854701 -0.372266 0.066016
H 3.709465 2.046113 0.248910
H 2.770394 2.641276 -1.150907
H 4.780360 1.223936 -1.863888
H 3.234627 0.534757 -2.413685
H -0.314585 -2.610003 0.813892
H -1.752395 0.665284 1.702216
H -1.317785 -2.381920 -1.384374
H -2.900696 -1.112116 -2.856386
H -3.855426 1.085129 -2.100448


