%chk=000090994.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000090994

0 1
 Cl  -7.829100      -2.854300      4.1000000E-03
 S    6.689100     -0.7468000      -1.821600    
 N    2.159900     -0.1503000      0.8394000    
 N    4.925000     -0.2222000      0.1301000    
 N   -1.512600     -0.6833000      0.4354000    
 N    7.259000     -0.1877000      0.6370000    
 C    3.156800     -0.6960000       1.770100    
 C    2.569200     -0.4062000     -0.5477000    
 C    4.526400     -5.7999998E-02   1.532500    
 C    3.931400      0.2258000     -0.8494000    
 C   0.8423000     -0.7281000       1.101300    
 C  -0.2014000     -9.4200000E-02  0.1864000    
 C   -2.522800     -8.1900001E-02 -0.4232000    
 C    6.255100     -0.3500000     -0.2044000    
 C   -3.868200     -0.7842000     -0.3147000    
 C   -2.648300       1.419100     -0.2076000    
 C   -4.703500     -0.7996000      -1.413100    
 C   -4.212800      -1.385700      0.8787000    
 C   -3.034500       2.215400      -1.266600    
 C   -2.372100       1.939700       1.040400    
 C    8.343500     -0.6988000      -1.372200    
 C    8.450200     -0.3880000     -3.2800000E-02
 C   -5.936600      -1.444000      -1.313800    
 C   -5.445800      -2.030000      0.9780000    
 C   -3.149500       3.591300      -1.069100    
 C   -2.487100       3.315600       1.237900    
 C   -6.307800      -2.059200     -0.1182000    
 C   -2.875900       4.141600      0.1832000    
 H    3.234000      -1.786300       1.661100    
 H    2.856900     -0.4898000       2.804600    
 H    1.889300      4.7899999E-02  -1.272500    
 H    2.608700      -1.484500     -0.7520000    
 H    4.501700       1.010300       1.781800    
 H    5.247600     -0.5359000       2.206800    
 H    4.178200     -2.9300001E-02  -1.883900    
 H    3.856000       1.320300     -0.8034000    
 H   0.8573000      -1.818100      0.9664000    
 H   0.5585000     -0.5334000       2.143800    
 H   2.2700001E-02 -0.2957000     -0.8647000    
 H  -0.1595000      0.9889000      0.3291000    
 H   -2.178000     -0.2429000      -1.456600    
 H   -1.462400      -1.687300      0.2592000    
 H   -4.424000     -0.3339000      -2.352700    
 H   -3.572500      -1.364300       1.755000    
 H   -3.240400       1.802500      -2.248900    
 H   -2.098400       1.323700       1.891400    
 H    9.132400     -0.8942000      -2.084200    
 H    9.381700     -0.2938000      0.5087000    
 H   -6.597200      -1.460600      -2.176900    
 H   -5.723800      -2.501700       1.917100    
 H   -3.450200       4.234800      -1.890800    
 H   -2.281100       3.743500       2.214700    
 H   -2.966600       5.212900      0.3373000    


%chk=000090994-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000090994

0 1
Cl -7.593448 -3.393923 0.021062
S 7.163502 -1.149659 -1.793205
N 2.290001 -0.119214 0.426390
N 5.113916 -0.248369 -0.059479
N -1.489172 -0.397368 0.196897
N 7.343722 -0.465255 0.808081
C 3.242643 -0.243379 1.560365
C 2.819802 -0.836390 -0.759434
C 4.603542 0.368914 1.185836
C 4.173945 -0.241681 -1.192535
C 0.909301 -0.526181 0.780966
C -0.147219 0.134043 -0.127639
C -2.612698 0.215537 -0.555257
C 6.450148 -0.547145 -0.175908
C -3.852332 -0.677384 -0.414310
C -2.895609 1.650454 -0.069442
C -4.516485 -1.177417 -1.559696
C -4.349114 -1.020389 0.869512
C -3.490655 2.585472 -0.950859
C -2.609907 2.045214 1.260106
C 8.751606 -1.269086 -0.926415
C 8.616496 -0.870482 0.387953
C -5.658901 -2.002656 -1.440172
C -5.483512 -1.847833 1.010012
C -3.807283 3.890183 -0.511091
C -2.920928 3.350284 1.701988
C -6.122547 -2.325205 -0.151758
C -3.523989 4.276819 0.819796
H 3.392860 -1.311326 1.860177
H 2.833122 0.302899 2.429525
H 2.107125 -0.738399 -1.597247
H 2.955004 -1.928013 -0.546382
H 4.483458 1.461648 1.032612
H 5.350328 0.201826 1.977557
H 4.588140 -0.840139 -2.022351
H 4.018743 0.797190 -1.552069
H 0.786661 -1.641419 0.749489
H 0.707492 -0.216070 1.822135
H 0.117839 -0.015691 -1.203217
H -0.140654 1.223391 0.050681
H -2.379706 0.282414 -1.648248
H -1.520363 -1.423954 0.132536
H -4.142657 -0.925846 -2.559487
H -3.846288 -0.634735 1.761863
H -3.713298 2.290256 -1.984513
H -2.130755 1.319509 1.927175
H 9.632767 -1.617463 -1.458946
H 9.432529 -0.851515 1.112023
H -6.170873 -2.387064 -2.326971
H -5.867598 -2.111333 1.999758
H -4.269542 4.603595 -1.202796
H -2.692455 3.646395 2.732428
H -3.765901 5.289040 1.163003


