%chk=000029287.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000029287

0 1
 S  -0.6265000     -0.6512000       1.701500    
 N    3.327500      0.1206000     -0.5037000    
 N   -4.127600     -0.7018000     -0.3375000    
 C   0.1087000       3.087000      0.1779000    
 C   0.6185000       2.128000       1.253900    
 C    1.165000       4.066400     -0.3322000    
 C    1.410500      0.9799000      0.6912000    
 C    2.330800       3.422100      -1.081700    
 C    3.203500       2.523700     -0.2072000    
 C    2.611500       1.156500      9.7000003E-03
 C   0.9519000     -0.3313000      0.8438000    
 C    1.673900      -1.412500      0.3235000    
 C    2.873800      -1.136300     -0.3538000    
 C   -1.779200     -0.5479000      0.3138000    
 C   -3.206000     -0.7872000      0.7915000    
 C    1.226400      -2.737600      0.4645000    
 C    3.595600      -2.207100     -0.8744000    
 C   -4.046100      0.6219000      -1.009000    
 C   -5.495000     -0.9962000      9.3699999E-02
 C    1.965900      -3.791000     -6.5099999E-02
 C    3.152900      -3.524900     -0.7358000    
 C   -4.482700       1.740400     -8.5600004E-02
 C   -6.453300      -1.021400      -1.079100    
 H  -0.3268000       2.533200     -0.6627000    
 H  -0.7040000       3.683300      0.6123000    
 H  -0.2397000       1.832600       1.858400    
 H    1.259500       2.669400       1.963100    
 H   0.6735000       4.774700      -1.010800    
 H    1.550300       4.661100      0.5054000    
 H    2.960000       4.234100      -1.467800    
 H    1.958000       2.871800      -1.954400    
 H    3.415700       2.994700      0.7599000    
 H    4.174600       2.404400     -0.7052000    
 H   -1.637800      0.4528000     -9.5899999E-02
 H   -1.498200      -1.280300     -0.4509000    
 H   -3.261700      -1.801500       1.210200    
 H   -3.475800     -0.1037000       1.605500    
 H   0.3103000      -3.009200      0.9789000    
 H   -3.051500      0.8188000      -1.418300    
 H   -4.675200      0.6255000      -1.906400    
 H   -5.504900      -2.003600      0.5308000    
 H   -5.862200     -0.3283000      0.8807000    
 H    4.528800      -2.024000      -1.403900    
 H    1.618400      -4.813600      4.5600001E-02
 H    3.737500      -4.339700      -1.152500    
 H   -3.851400       1.840400      0.8013000    
 H   -5.528000       1.667500      0.2259000    
 H   -4.397300       2.691600     -0.6251000    
 H   -6.064500      -1.622000      -1.908700    
 H   -6.690300     -1.9400001E-02  -1.449200    
 H   -7.402000      -1.473300     -0.7683000    


%chk=000029287-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000029287

0 1
S -0.548443 -0.511328 1.812000
N 3.466025 -0.005446 -0.602805
N -4.215245 -0.252464 -0.152878
C 0.329781 3.154787 -0.112407
C 0.866151 2.264051 1.049168
C 1.399534 4.052850 -0.775664
C 1.547660 0.986812 0.592264
C 2.568526 3.298591 -1.450504
C 3.415907 2.419827 -0.484683
C 2.793873 1.072717 -0.152735
C 1.023482 -0.294346 0.845197
C 1.715387 -1.472886 0.379224
C 2.951346 -1.268419 -0.349669
C -1.800581 -0.247107 0.386323
C -3.220091 -0.553244 0.901733
C 1.260838 -2.814507 0.592091
C 3.682049 -2.398894 -0.834060
C -4.651888 1.166519 -0.188652
C -5.293608 -1.263253 -0.292310
C 1.993633 -3.901929 0.107441
C 3.213315 -3.695720 -0.610763
C -5.659069 1.596884 0.913581
C -6.098460 -1.106550 -1.596176
H -0.148135 2.510968 -0.878169
H -0.467486 3.808296 0.294666
H 0.032336 1.990705 1.719336
H 1.574764 2.868955 1.652008
H 0.907838 4.701105 -1.528822
H 1.816308 4.732673 -0.002490
H 3.243110 4.046065 -1.912445
H 2.188627 2.665805 -2.277050
H 3.606206 2.996214 0.444626
H 4.394406 2.202317 -0.945345
H -1.707833 0.797685 0.046665
H -1.526845 -0.924284 -0.437780
H -3.280420 -1.626028 1.161949
H -3.404647 0.011735 1.845923
H 0.330846 -2.965527 1.149772
H -3.744483 1.796136 -0.118166
H -5.089530 1.374269 -1.182624
H -4.806895 -2.256940 -0.296570
H -5.999324 -1.258791 0.576173
H 4.610863 -2.201860 -1.378197
H 1.633491 -4.922339 0.280067
H 3.777424 -4.557924 -0.983336
H -5.256880 1.415843 1.927305
H -6.615904 1.051222 0.823376
H -5.878629 2.677112 0.825940
H -5.418307 -1.094038 -2.466311
H -6.694988 -0.176462 -1.608221
H -6.800730 -1.952454 -1.710194


