%chk=000210619.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000210619

0 1
Br 4.877740 -1.125738 -0.130619
O -0.807560 2.138817 0.369478
O -2.777706 1.378970 1.039807
N -1.105898 -0.199395 0.709566
C 0.465981 1.937829 -0.362686
C 1.085497 0.611696 0.008986
C 0.273589 -0.440507 0.496923
C -2.072471 -1.318444 0.911890
C -2.676348 -1.870543 -0.404083
C 0.099835 1.982092 -1.842668
C 1.255679 3.152287 0.107657
C -1.644324 1.118081 0.705674
C 2.455759 0.398731 -0.171754
C 0.854124 -1.693594 0.794448
C -1.630838 -2.592579 -1.256753
C -3.379337 -0.773360 -1.205786
C 3.009623 -0.846303 0.126175
C 2.218003 -1.894548 0.608584
H -2.899082 -0.937619 1.563053
H -1.571867 -2.135542 1.477128
H -3.450446 -2.621857 -0.092543
H -0.499880 2.874473 -2.071143
H 0.990823 2.004297 -2.480121
H -0.495900 1.110603 -2.141861
H 1.663181 3.006331 1.116883
H 2.081362 3.398113 -0.567110
H 0.598298 4.035678 0.164635
H 3.086091 1.207651 -0.549477
H 0.233871 -2.505457 1.176516
H -0.820714 -1.920704 -1.564619
H -1.176168 -3.432925 -0.722871
H -2.080091 -2.993037 -2.173374
H -4.019883 -1.197664 -1.985827
H -4.011543 -0.143913 -0.562479
H -2.666442 -0.103750 -1.699108
H 2.662243 -2.865070 0.841578


%chk=000210619-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000210619

0 1
Br 5.049096 -1.066789 0.133755
O -0.687409 2.163076 0.628307
O -2.746962 1.359896 1.232166
N -1.088859 -0.195344 0.626897
C 0.496374 1.957602 -0.298357
C 1.158638 0.640912 0.086727
C 0.313324 -0.437315 0.484250
C -2.070624 -1.298434 0.837635
C -2.709722 -1.870688 -0.459021
C -0.039226 1.910733 -1.748820
C 1.351201 3.205811 -0.049137
C -1.585788 1.114118 0.835935
C 2.552503 0.449703 -0.001832
C 0.895583 -1.703657 0.748715
C -1.700569 -2.596204 -1.379821
C -3.499064 -0.793638 -1.239012
C 3.108072 -0.813780 0.276174
C 2.288464 -1.897099 0.642537
H -2.870565 -0.876518 1.468717
H -1.587001 -2.106217 1.413450
H -3.439184 -2.626587 -0.094523
H -0.614676 2.827555 -1.964011
H 0.804040 1.842550 -2.458626
H -0.692935 1.035643 -1.909342
H 1.745121 3.213964 0.980527
H 2.194403 3.260217 -0.759503
H 0.725451 4.102639 -0.189775
H 3.200669 1.279355 -0.295860
H 0.279889 -2.556083 1.040689
H -0.936054 -1.898298 -1.768630
H -1.175430 -3.415366 -0.853894
H -2.223835 -3.035224 -2.249190
H -4.052384 -1.253701 -2.078230
H -4.218846 -0.266691 -0.588833
H -2.818679 -0.033020 -1.666315
H 2.720186 -2.880019 0.850351


