%chk=000003307.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000003307

0 1
 Cl  -1.367500      -1.362400      -2.330300    
 S    1.933200       2.137900      5.9000002E-03
 N    2.269400     -0.5025000      5.0099999E-02
 N  -0.2866000      -1.924700       1.029600    
 N    3.108200      -2.540600      0.1748000    
 N    3.968700      -1.767900     -0.5652000    
 C    1.380100      0.5507000      0.2252000    
 C   4.2300001E-02  0.4557000      0.5630000    
 C  -0.7400000     -0.7852000      0.6376000    
 C    2.114700      -1.771600      0.5668000    
 C   0.4257000       2.778800      0.4846000    
 C  -0.4903000       1.783700      0.7470000    
 C    1.057500      -2.102900       1.551200    
 C    3.476100     -0.5511000     -0.6030000    
 C   0.2397000       4.244100      0.5488000    
 C   -2.161000     -0.7325000      0.2030000    
 C    4.116900      0.5528000      -1.347500    
 C  -0.2332000       4.838700     -0.7820000    
 C   -2.533900     -0.9797000      -1.115600    
 C   -3.124200     -0.4255000       1.160700    
 C   -3.879200     -0.9193000      -1.479100    
 C   -4.469600     -0.3650000      0.7971000    
 C   -4.847100     -0.6118000     -0.5228000    
 H   -1.512300       2.001400       1.031400    
 H    1.167900      -3.153100       1.845300    
 H    1.191900      -1.519100       2.470400    
 H  -0.5023000       4.483900       1.320900    
 H    1.166600       4.744500      0.8553000    
 H    4.527000       1.312600     -0.6767000    
 H    4.968800      0.1606000      -1.916300    
 H    3.444900       1.000000      -2.085400    
 H   0.5003000       4.665200      -1.576400    
 H  -0.3783000       5.918900     -0.6818000    
 H   -1.183300       4.393600      -1.096400    
 H   -2.843600     -0.2332000       2.193000    
 H   -4.190100      -1.108800      -2.503300    
 H   -5.223200     -0.1262000       1.541700    
 H   -5.894600     -0.5647000     -0.8057000    


%chk=000003307-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000003307

0 1
Cl -1.391804 0.256267 -2.285780
S 2.016783 2.297872 0.139911
N 2.283289 -0.505456 0.145338
N -0.298790 -1.820488 1.325807
N 3.095349 -2.572507 0.560805
N 3.880462 -1.966983 -0.472876
C 1.422462 0.595701 0.280446
C 0.055522 0.539325 0.565805
C -0.720769 -0.722747 0.731056
C 2.153499 -1.686265 0.914895
C 0.331921 2.913676 0.470282
C -0.536241 1.858408 0.662432
C 1.068056 -1.824375 1.935845
C 3.381744 -0.736001 -0.711015
C 0.065490 4.395643 0.470462
C -2.147547 -0.743228 0.257997
C 3.894580 0.211971 -1.745906
C 0.303652 5.073641 -0.905081
C -2.585586 -0.309326 -1.018063
C -3.137042 -1.261111 1.139384
C -3.939299 -0.355145 -1.405661
C -4.496840 -1.313028 0.774904
C -4.901955 -0.850852 -0.498705
H -1.599035 2.007605 0.869113
H 1.207469 -2.783930 2.455191
H 1.152316 -0.997799 2.676163
H -0.987724 4.543532 0.775571
H 0.687303 4.899417 1.236757
H 4.362572 1.108986 -1.301093
H 4.658063 -0.317111 -2.336912
H 3.090868 0.552019 -2.423585
H 1.357145 4.974422 -1.223436
H 0.065756 6.150857 -0.847710
H -0.331408 4.616261 -1.683499
H -2.800006 -1.630925 2.112566
H -4.229623 -0.023298 -2.406531
H -5.235533 -1.713910 1.476440
H -5.955502 -0.885820 -0.795416


