%chk=000040105.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000040105

0 1
 S  -0.6930000      -1.002500      -1.843000    
 N   -1.098400       1.298700      0.2840000    
 N   -2.567200       3.775700      2.7100001E-02
 N   -1.971800      -3.193200      -1.247900    
 C  -0.1371000      0.4182000      0.9448000    
 C   -2.214400       1.619800       1.182000    
 C  -0.4449000       2.528100     -0.1817000    
 C   -3.221400       2.546600      0.4920000    
 C   -1.452400       3.453700     -0.8722000    
 C  -0.8048000     -0.8199000       1.566000    
 C    1.046500      4.2100001E-02  7.7200003E-02
 C   -1.403400      -1.939800      0.7414000    
 C   0.9024000     -0.6240000      -1.151400    
 C    2.343100      0.3398000      0.5356000    
 C   -3.528200       4.657600     -0.6323000    
 C    3.468300     -7.0000002E-03 -0.2119000    
 C   -1.390300      -2.116500     -0.6455000    
 C    4.833000      0.3221000      0.2929000    
 C    2.039800     -0.9626000      -1.900300    
 C    3.316300     -0.6582000      -1.430200    
 C   -2.039100      -2.950600       1.494500    
 C    5.156900     -0.3869000       1.621800    
 C    5.054600       1.839300      0.4435000    
 C   -2.627600      -4.053500      0.8921000    
 C   -2.566900      -4.126800     -0.4785000    
 H   0.2636000      0.9777000       1.805000    
 H   -1.860300       2.082100       2.113000    
 H   -2.794100      0.7292000       1.441600    
 H   0.3385000       2.313800     -0.9170000    
 H   2.8600000E-02   3.062600      0.6534000    
 H   -3.698200       2.017200     -0.3445000    
 H   -4.010500       2.796800       1.211800    
 H  -0.9325000       4.375300      -1.161200    
 H   -1.816600       2.980700      -1.794500    
 H   -1.523900     -0.5271000       2.340700    
 H  -6.2000002E-03  -1.315200       2.144300    
 H    2.464700      0.8469000       1.490400    
 H   -3.975100       4.195000      -1.519700    
 H   -3.045200       5.592500     -0.9374000    
 H   -4.334600       4.931100      5.7000000E-02
 H    5.575600     -2.9800000E-02 -0.4363000    
 H    1.945600      -1.466800      -2.859800    
 H    4.179300     -0.9344000      -2.029900    
 H   -2.075000      -2.876500       2.580400    
 H    5.024300      -1.470400       1.526800    
 H    6.196100     -0.1995000       1.913200    
 H    4.514200     -4.0700000E-02   2.438400    
 H    4.408000       2.273700       1.213400    
 H    6.092800       2.049400      0.7228000    
 H    4.848400       2.357800     -0.4995000    
 H   -3.113500      -4.822900       1.479800    
 H   -3.007000      -4.959500      -1.016000    


%chk=000040105-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000040105

0 1
S -0.268546 -1.456308 -1.903301
N -0.941762 0.952346 0.437090
N -2.625490 3.279780 -0.010411
N -2.593328 -2.517498 -1.413213
C 0.120371 0.117609 1.064548
C -1.999373 1.339762 1.405068
C -0.426737 2.159011 -0.260265
C -3.140963 2.082870 0.691873
C -1.573608 2.886127 -0.978176
C -0.453619 -1.257179 1.558250
C 1.322604 -0.111250 0.152981
C -1.565357 -1.856589 0.715560
C 1.250021 -0.843676 -1.061730
C 2.589817 0.357100 0.576872
C -3.700614 4.074027 -0.633025
C 3.777096 0.155302 -0.169312
C -1.565675 -1.977133 -0.704461
C 5.128491 0.682889 0.317807
C 2.426603 -1.065142 -1.819532
C 3.670525 -0.564405 -1.383849
C -2.716676 -2.362389 1.373670
C 5.567241 -0.009671 1.636646
C 5.121620 2.226097 0.481741
C -3.786222 -2.940087 0.656285
C -3.682039 -2.988355 -0.750012
H 0.520383 0.631987 1.978669
H -1.583515 1.997522 2.211138
H -2.415012 0.433236 1.877923
H 0.326087 1.847831 -1.003406
H 0.060331 2.868880 0.455009
H -3.639374 1.371397 -0.015670
H -3.891031 2.403956 1.439658
H -1.179973 3.798431 -1.464709
H -1.978408 2.211573 -1.774974
H -0.838697 -1.140127 2.588228
H 0.397201 -1.961624 1.630299
H 2.636543 0.910322 1.523962
H -4.264280 3.516845 -1.424338
H -3.271604 4.981515 -1.095043
H -4.423074 4.392706 0.140336
H 5.880766 0.431891 -0.457179
H 2.364660 -1.640297 -2.750103
H 4.567134 -0.747783 -1.988383
H -2.765249 -2.295685 2.467713
H 5.606984 -1.107375 1.517210
H 6.568591 0.342452 1.947505
H 4.860265 0.216006 2.456959
H 4.401978 2.540461 1.260574
H 6.122006 2.589449 0.781951
H 4.838855 2.727144 -0.461417
H -4.670710 -3.333390 1.165698
H -4.478238 -3.411357 -1.372510


