%chk=000071949.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000071949

0 1
 Br -0.2825000      -4.652000     -0.8044000    
 Cl  -2.204200       1.055600       2.415300    
 S    1.179600      -1.840000     -0.5463000    
 N    1.012400      0.8158000     -0.6226000    
 N    2.536600       2.383300     -0.3267000    
 N    1.425100       2.968900     -0.8806000    
 N   -1.899000       1.726100      -1.082100    
 C    3.280700      0.1187000      0.4032000    
 C    4.116600      0.7715000       1.517500    
 C    4.182500     -0.5272000     -0.6624000    
 C    5.100500     -0.2228000       2.132200    
 C    5.166400      -1.514800     -3.7000000E-02
 C    5.989900     -0.8644000       1.071100    
 C    2.291100       1.098400     -0.2101000    
 C   0.5332000       2.023200      -1.085800    
 C   0.3141000     -0.3854000     -0.6379000    
 C  -0.7333000       2.133400      -1.847400    
 C   -1.057800     -0.5432000     -0.7143000    
 C   -2.053800      0.5327000     -0.6245000    
 C   -1.363400      -1.949900     -0.8092000    
 C  -0.2479000      -2.755400     -0.7373000    
 C   -3.333000      0.2325000      7.1699999E-02
 C   -3.489000      0.4386000       1.439800    
 C   -4.387000     -0.2669000     -0.6892000    
 C   -4.707200      0.1431000       2.051600    
 C   -5.605200     -0.5625000     -7.7399999E-02
 C   -5.765300     -0.3575000       1.293000    
 H    2.740000     -0.6516000      0.9561000    
 H    3.460200       1.167600       2.302500    
 H    4.677500       1.626700       1.118100    
 H    4.755700      0.2627000      -1.168100    
 H    3.619000      -1.021900      -1.457700    
 H    4.545800      -1.004400       2.665700    
 H    5.723900      0.2885000       2.874400    
 H    5.837600      -1.903900     -0.8110000    
 H    4.616000      -2.371800      0.3696000    
 H    6.647700     -0.1015000      0.6369000    
 H    6.636900      -1.615500       1.538100    
 H  -0.8744000       3.178900      -2.144800    
 H  -0.6704000       1.562400      -2.782000    
 H   -2.365500      -2.351300     -0.8975000    
 H   -4.276100     -0.4292000      -1.758200    
 H   -4.848300      0.2970000       3.118500    
 H   -6.429300     -0.9518000     -0.6680000    
 H   -6.713900     -0.5876000       1.769200    


%chk=000071949-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000071949

0 1
Br -0.508980 -4.892621 -1.189617
Cl -1.663862 -0.827634 2.277264
S 1.196994 -2.157195 -1.163504
N 1.059607 0.653715 -0.952820
N 2.521393 2.337438 -0.644183
N 1.409651 2.842668 -1.389696
N -1.909581 1.593480 -1.294741
C 3.238563 0.135058 0.378294
C 3.892744 0.902197 1.563258
C 4.341898 -0.447995 -0.561645
C 4.878824 -0.001686 2.338008
C 5.318955 -1.354788 0.221012
C 5.961215 -0.595961 1.405864
C 2.302055 1.032196 -0.383643
C 0.552766 1.828557 -1.563090
C 0.356466 -0.559748 -0.952322
C -0.778646 1.832253 -2.245919
C -1.030904 -0.706796 -0.857313
C -1.994562 0.423415 -0.696680
C -1.452515 -2.091574 -0.922005
C -0.412957 -2.978582 -1.082046
C -3.221541 0.192467 0.138135
C -3.226030 -0.386417 1.432127
C -4.476845 0.600411 -0.393501
C -4.414230 -0.585545 2.162187
C -5.677084 0.410057 0.318577
C -5.647906 -0.194016 1.596894
H 2.659612 -0.714832 0.797754
H 3.102686 1.281056 2.238705
H 4.416908 1.788822 1.160429
H 4.893128 0.400212 -1.012832
H 3.881915 -1.013760 -1.395718
H 4.320207 -0.829525 2.822957
H 5.352424 0.581164 3.151144
H 6.102111 -1.734778 -0.462902
H 4.771646 -2.240482 0.605732
H 6.593329 0.225782 1.011475
H 6.628281 -1.271622 1.975121
H -0.923294 2.820816 -2.706067
H -0.787520 1.058216 -3.044949
H -2.497932 -2.394938 -0.845064
H -4.475010 1.078855 -1.377672
H -4.369968 -1.025341 3.162518
H -6.628161 0.730568 -0.118429
H -6.573352 -0.350468 2.160900


