%chk=000256658.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000256658

0 1
Br 5.614082 -0.390742 -1.920392
N -0.210657 1.524952 1.269056
N -0.206683 -0.893731 1.773301
C 0.602175 0.352975 1.694363
C -1.814740 0.030968 0.168545
C -1.266978 1.347214 0.344398
C -1.262892 -1.103669 0.855264
C -2.936805 -0.148119 -0.681600
C 1.825243 0.167127 0.791847
C -1.810591 2.434546 -0.327145
C -1.802536 -2.370483 0.674428
C -3.483724 0.988990 -1.352187
C -3.479606 -1.460220 -0.841690
C -2.932618 2.236107 -1.169052
C -2.924625 -2.528534 -0.175936
C 1.676017 -0.117757 -0.571786
C 3.107150 0.284987 1.344032
C 2.800819 -0.284956 -1.384564
C 4.239777 0.119814 0.540719
C 4.071121 -0.163689 -0.816368
H 0.934455 0.574841 2.755806
H 0.341755 2.378330 1.162695
H 0.348405 -1.716782 2.016576
H -1.408969 3.434513 -0.207253
H -1.397815 -3.237984 1.183585
H -4.343151 0.848350 -2.001835
H -4.339035 -1.593589 -1.492872
H -3.353641 3.104283 -1.678713
H -3.342493 -3.529388 -0.296027
H 0.676877 -0.210783 -1.007322
H 3.233735 0.506376 2.404303
H 2.679750 -0.506823 -2.446584
H 5.236798 0.212377 0.974109


%chk=000256658-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000256658

0 1
Br 5.755252 -0.398329 -1.956058
N -0.224288 1.484826 1.263551
N -0.219806 -0.858720 1.752065
C 0.621113 0.349097 1.672456
C -1.846808 0.029982 0.165712
C -1.290621 1.342643 0.362880
C -1.286337 -1.092307 0.871119
C -2.979022 -0.154176 -0.707557
C 1.858333 0.163534 0.769828
C -1.851487 2.446702 -0.307094
C -1.843636 -2.373921 0.699730
C -3.526619 0.990891 -1.376289
C -3.522785 -1.472813 -0.861501
C -2.969436 2.257828 -1.170052
C -2.961817 -2.549555 -0.165695
C 1.734252 -0.122773 -0.616250
C 3.153498 0.279625 1.329292
C 2.879070 -0.289292 -1.422849
C 4.313179 0.115985 0.535783
C 4.157802 -0.167520 -0.834987
H 0.995229 0.562818 2.694868
H 0.206767 2.406021 1.342917
H 0.214322 -1.669465 2.193548
H -1.432160 3.449725 -0.163612
H -1.421246 -3.234410 1.232313
H -4.385826 0.860144 -2.043058
H -4.381857 -1.622771 -1.524396
H -3.392598 3.129488 -1.682271
H -3.381968 -3.554686 -0.285854
H 0.743526 -0.217609 -1.072644
H 3.268326 0.500776 2.398542
H 2.778346 -0.509980 -2.489337
H 5.309901 0.207743 0.976602


