%chk=000127581.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000127581

0 1
 S   -2.123400       2.827500     -5.7000000E-02
 S   -2.753900       1.483200      -1.478900    
 N   -3.092300      -1.740800     -0.7057000    
 N   -5.117200       1.276900     -0.1407000    
 N   -4.748300      -2.753400      0.3901000    
 N   -6.094700     -0.7650000      0.7689000    
 C    4.034800      0.3926000      0.6265000    
 C    5.324200      0.3969000     -0.1981000    
 C    2.921700       1.167000     -8.2599998E-02
 C    6.428300     -0.4087000      0.4907000    
 C    1.585400       1.135200      0.6647000    
 C    7.705800     -0.4298000     -0.3516000    
 C   0.4776000       1.930700     -3.2600001E-02
 C    8.853600      -1.198100      0.3069000    
 C  -0.8151000       1.886500      0.7786000    
 C    10.10230      -1.282000     -0.5573000    
 C   -4.041500      0.6061000     -0.6105000    
 C   -3.986100     -0.7565000     -0.3929000    
 C   -5.005200      -1.410000      0.2870000    
 C   -3.592000      -2.918600     -0.2162000    
 C   -6.064000      0.5602000      0.5107000    
 H    3.709500     -0.6413000      0.7936000    
 H    4.221800      0.8366000       1.611500    
 H    5.126400     -2.8000001E-02  -1.189800    
 H    5.660600       1.429700     -0.3497000    
 H    3.236000       2.209900     -0.2139000    
 H    2.774400      0.7523000      -1.087700    
 H    6.086200      -1.436700      0.6603000    
 H    6.643700      2.7600000E-02   1.473400    
 H    1.734300       1.534300       1.675800    
 H    1.264100      9.2500001E-02  0.7801000    
 H    8.031300      0.5996000     -0.5462000    
 H    7.485300     -0.8814000      -1.327100    
 H   0.8079000       2.969300     -0.1601000    
 H   0.3239000       1.511300      -1.034000    
 H    9.110900     -0.7198000       1.259400    
 H    8.520800      -2.216100      0.5423000    
 H  -0.6497000       2.352800       1.756000    
 H   -1.143500      0.8585000      0.9650000    
 H    9.889700      -1.792600      -1.501800    
 H    10.48610     -0.2827000     -0.7858000    
 H    10.88820      -1.839000     -3.7700001E-02
 H   -2.220900      -1.624400      -1.205600    
 H   -3.065600      -3.854800     -0.3351000    
 H   -6.912900       1.129300      0.8744000    


%chk=000127581-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000127581

0 1
S -2.221920 2.691286 -0.305047
S -2.688600 0.852813 -1.545598
N -5.331438 -1.207008 -2.051334
N -3.286407 -0.258532 0.943403
N -6.381846 -2.587635 -0.549963
N -5.014707 -1.936979 1.423075
C 4.222068 0.679485 0.697964
C 5.476531 0.368772 -0.149443
C 3.004003 1.107815 -0.150989
C 6.697734 -0.054122 0.698068
C 1.744672 1.401865 0.695934
C 7.951271 -0.369922 -0.148765
C 0.537064 1.842693 -0.167706
C 9.172162 -0.793157 0.699890
C -0.713212 2.090173 0.683798
C 10.421290 -1.103933 -0.152698
C -3.625108 -0.201872 -0.365972
C -4.681488 -1.010656 -0.833764
C -5.353205 -1.879917 0.102070
C -6.333776 -2.157698 -1.820540
C -3.995784 -1.105051 1.767729
H 3.954574 -0.215761 1.297453
H 4.461813 1.481389 1.427256
H 5.237656 -0.437129 -0.874627
H 5.741725 1.261413 -0.753924
H 3.268182 2.009165 -0.742393
H 2.771021 0.310023 -0.886455
H 6.431611 -0.945361 1.304333
H 6.938451 0.752528 1.421959
H 1.979545 2.192047 1.439246
H 1.473905 0.495515 1.275942
H 8.219344 0.520324 -0.755660
H 7.712172 -1.177457 -0.872240
H 0.795415 2.760500 -0.731249
H 0.315068 1.056664 -0.916458
H 9.408313 0.012993 1.424278
H 8.903685 -1.683843 1.304075
H -0.562925 2.917258 1.406374
H -1.046786 1.195204 1.232229
H 10.219964 -1.925710 -0.865835
H 10.729307 -0.218977 -0.741149
H 11.278401 -1.405842 0.477070
H -5.128741 -0.730239 -2.929859
H -6.997191 -2.500472 -2.612078
H -3.695309 -1.105853 2.818900


