%chk=000258630.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000258630

0 1
Br 0.008389 -5.764971 1.373674
P -0.002135 1.319186 -0.296978
O -1.200629 1.248097 0.839941
O 1.196427 1.252981 0.840167
O -0.004213 2.412943 -1.275057
N 0.000722 -0.236600 -1.079662
N 0.004086 -2.567853 -1.261355
C 0.002277 -1.475046 -0.416981
C -2.508216 1.271680 0.328864
C 2.503749 1.278186 0.328241
C -3.031276 2.422428 -0.270636
C 3.026499 2.432940 -0.263814
C -3.268219 0.118074 0.559077
C 3.263659 0.122895 0.549869
C 0.002158 -1.615972 0.993857
C -4.375456 2.401600 -0.654754
C 4.370288 2.414518 -0.649353
C -4.609281 0.128580 0.169647
C 4.604356 0.135785 0.159148
C 0.003964 -2.898641 1.533317
C -5.160517 1.263783 -0.437094
C 5.155255 1.274998 -0.440305
C 0.005832 -4.005261 0.675984
C 0.005784 -3.804468 -0.715523
H 0.000974 -0.293870 -2.123249
H -2.415897 3.308271 -0.437112
H 2.410941 3.319843 -0.423389
H -2.816763 -0.749379 1.037397
H 2.812659 -0.747762 1.022802
H 0.000590 -0.747680 1.658812
H -4.811707 3.282754 -1.126510
H 4.806324 3.298784 -1.115440
H -5.227070 -0.753629 0.338459
H 5.222102 -0.747707 0.321294
H 0.003928 -3.034620 2.618314
H -6.206239 1.261185 -0.740705
H 6.200683 1.274242 -0.744971
H 0.007177 -4.645394 -1.424273


%chk=000258630-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000258630

0 1
Br -0.005142 -6.085087 0.664440
P 0.000043 1.265746 -0.446381
O -1.243111 1.206336 0.758047
O 1.246613 1.204989 0.754506
O -0.000777 2.449888 -1.503651
N -0.002033 -0.271829 -1.251268
N -0.004497 -2.559181 -1.645196
C -0.002443 -1.571864 -0.702612
C -2.630747 1.282759 0.406008
C 2.633156 1.283636 0.398311
C -3.110803 2.128654 -0.618234
C 3.109749 2.138890 -0.619783
C -3.499025 0.504906 1.199296
C 3.503988 0.498144 1.181172
C -0.001151 -1.835784 0.694283
C -4.504276 2.175286 -0.851957
C 4.502410 2.187621 -0.857801
C -4.888804 0.576092 0.959146
C 4.892969 0.571463 0.936935
C -0.001924 -3.180638 1.111717
C -5.395137 1.406134 -0.068754
C 5.395844 1.411120 -0.084824
C -0.003984 -4.201093 0.134785
C -0.005257 -3.855870 -1.232796
H -0.003138 -0.247668 -2.277055
H -2.418807 2.736533 -1.210183
H 2.415609 2.751667 -1.204078
H -3.083052 -0.132648 1.985003
H 3.090602 -0.146852 1.962160
H 0.000351 -1.022261 1.423948
H -4.890383 2.824901 -1.644864
H 4.885901 2.844459 -1.646013
H -5.572163 -0.021088 1.572387
H 5.578374 -0.031550 1.542132
H -0.000979 -3.426707 2.177464
H -6.473128 1.454653 -0.254708
H 6.473204 1.461306 -0.273990
H -0.006847 -4.620164 -2.015888


