%chk=000001949.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000001949

0 1
 Br  -6.906900      -1.117100      -2.619300    
 F  -0.4170000       1.071300       3.129500    
 O    2.320500       2.806400     -0.3425000    
 O   -2.642800      0.1314000       2.520400    
 N    3.357200      -2.578200     -0.4730000    
 C    4.539200      0.1088000      -1.072300    
 C    5.129100     -0.8942000     -7.5900003E-02
 C    4.911100       1.545100     -0.6983000    
 C    4.795600      -2.347300     -0.4179000    
 C    4.296500       2.549600      -1.670600    
 C    2.775600       2.491900      -1.651300    
 C    2.734600      -2.264300      0.8144000    
 C    3.071500      -3.963700     -0.8503000    
 C    1.247200      -2.431800      0.7633000    
 C    1.153100       2.214700      6.5300003E-02
 C   0.9571000       1.938300       1.413300    
 C   0.1787000       1.896500     -0.8735000    
 C   -1.212900       1.012800      0.8927000    
 C  -0.2301000       1.335300       1.828600    
 C   -1.008600       1.293400     -0.4583000    
 C   0.5645000      -3.291300       1.528200    
 C   -2.452400      0.3841000       1.321600    
 C   -3.537900      1.7899999E-02  0.3625000    
 C   -3.515500      -1.232500     -0.2102000    
 C   -4.515500      0.9464000      9.0099998E-02
 C   -4.528500      -1.573700      -1.106400    
 C   -5.528400      0.6050000     -0.8060000    
 C   -5.535000     -0.6550000      -1.404300    
 H    4.898900     -0.1170000      -2.083400    
 H    3.453400     -1.1800000E-02  -1.076800    
 H    6.222900     -0.7952000     -0.1006000    
 H    4.847400     -0.6379000      0.9511000    
 H    4.593200       1.762300      0.3283000    
 H    6.002100       1.655800     -0.7195000    
 H    5.242200      -2.577900      -1.393600    
 H    5.276900      -3.007100      0.3161000    
 H    4.625900       3.553700      -1.377300    
 H    4.662300       2.366800      -2.687200    
 H    2.433300       1.517000      -2.013600    
 H    2.389300       3.254400      -2.338700    
 H    3.169400      -2.869000       1.621500    
 H    2.880400      -1.214400       1.087000    
 H    3.589400      -4.217200      -1.783100    
 H    3.393500      -4.678700     -8.4100001E-02
 H    2.008000      -4.122300      -1.057100    
 H   0.6946000      -1.806800      6.5800004E-02
 H    1.720700       2.186500       2.144800    
 H   0.2840000       2.128300      -1.928900    
 H   -1.749000       1.065900      -1.219100    
 H  -0.5148000      -3.360500       1.446200    
 H    1.064100      -3.935600       2.243000    
 H   -2.733600      -1.950000      1.8999999E-02
 H   -4.513700       1.928100      0.5537000    
 H   -4.518700      -2.559600      -1.564100    
 H   -6.305000       1.332500      -1.027400    


%chk=000001949-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000001949

0 1
Br -6.237607 -3.049377 -1.923045
F -0.888702 1.888489 3.100317
O 2.567574 2.584136 -0.090733
O -3.527494 2.047753 1.972201
N 3.207279 -2.594594 -0.566535
C 4.811303 -0.052025 -1.085792
C 5.309522 -1.221177 -0.208384
C 5.200445 1.335249 -0.529042
C 4.693066 -2.579835 -0.618368
C 4.643660 2.527789 -1.346597
C 3.116223 2.528876 -1.467787
C 2.659540 -2.572649 0.814511
C 2.624641 -3.685803 -1.375081
C 1.215598 -2.111188 0.851828
C 1.224722 2.282875 0.105511
C 0.804247 2.254419 1.460145
C 0.294237 1.999921 -0.930848
C -1.488251 1.622827 0.751977
C -0.525405 1.940075 1.748344
C -1.031292 1.665278 -0.592965
C 0.208423 -2.762057 1.485803
C -2.929913 1.372792 1.079740
C -3.677238 0.313140 0.311165
C -3.031505 -0.784960 -0.316856
C -5.095474 0.386613 0.280213
C -3.782097 -1.785522 -0.972010
C -5.858019 -0.595606 -0.380322
C -5.187650 -1.672807 -1.002306
H 5.204751 -0.169512 -2.117959
H 3.711451 -0.150287 -1.153901
H 6.413409 -1.309751 -0.267726
H 5.079652 -1.001551 0.854362
H 4.833131 1.421653 0.511892
H 6.304709 1.424770 -0.483874
H 4.982754 -2.794735 -1.665829
H 5.137209 -3.394608 0.009914
H 4.968159 3.479649 -0.884733
H 5.055627 2.510190 -2.376557
H 2.759237 1.607927 -1.967141
H 2.752808 3.410904 -2.031592
H 2.751507 -3.568465 1.318598
H 3.264483 -1.857896 1.405205
H 2.949731 -3.586923 -2.426203
H 2.916568 -4.705314 -1.015144
H 1.523136 -3.622150 -1.345320
H 1.022749 -1.159610 0.332695
H 1.516671 2.460687 2.262344
H 0.585179 2.046049 -1.982939
H -1.746721 1.460275 -1.396066
H -0.809520 -2.357271 1.522642
H 0.377003 -3.714878 2.003827
H -1.941306 -0.878451 -0.278707
H -5.584357 1.222473 0.791146
H -3.281619 -2.636458 -1.442459
H -6.949135 -0.529250 -0.409758


