%chk=000031430.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000031430

0 1
 S    5.377800      0.8836000      0.4399000    
 N    7.506900      0.4263000      -1.045600    
 N    6.883200      -1.314800      0.4233000    
 C   -1.130800     -0.3658000     -3.2800000E-02
 C   -2.469500      0.3485000      0.1792000    
 C   0.1193000      0.4437000      0.3247000    
 C   -3.716700     -0.4402000     -0.2307000    
 C    1.426700     -0.2870000      1.2100000E-02
 C   -5.019400      0.3408000     -4.2100001E-02
 C    2.642000      0.5755000      0.3664000    
 C   -6.231000     -0.4962000     -0.4603000    
 C    3.941800     -0.1447000      1.8500000E-02
 C   -7.506200      0.2797000     -0.3118000    
 C   -8.536100     -0.1121000      0.4465000    
 C    6.712200     -0.1375000     -8.7499999E-02
 H   -1.130900      -1.294100      0.5522000    
 H   -1.063600     -0.6655000      -1.086500    
 H   -2.451700       1.290900     -0.3830000    
 H   -2.556000      0.6229000       1.238100    
 H   8.6999997E-02  0.6970000       1.391500    
 H   9.6199997E-02   1.392200     -0.2262000    
 H   -3.758600      -1.367000      0.3544000    
 H   -3.621200     -0.7343000      -1.283200    
 H    1.464200      -1.228400      0.5734000    
 H    1.455500     -0.5435000      -1.053800    
 H   -4.979000       1.263600     -0.6345000    
 H   -5.118100      0.6385000       1.009400    
 H    2.581800       1.525000     -0.1803000    
 H    2.615700      0.8115000       1.437800    
 H   -6.264700      -1.418800      0.1319000    
 H   -6.128800     -0.7941000      -1.510700    
 H    4.001300      -1.090200      0.5672000    
 H    3.975300     -0.3715000      -1.052400    
 H   -7.595800       1.207100     -0.8715000    
 H   -9.435600      0.4910000      0.5052000    
 H   -8.502100      -1.032700       1.018500    
 H    7.319200       1.355500      -1.406000    
 H    8.306400     -6.8800002E-02  -1.425100    
 H    6.156300      -1.484500       1.126300    


%chk=000031430-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000031430

0 1
S 5.427628 0.983777 0.365264
N 7.983253 0.574540 -0.394255
N 6.806871 -1.452239 -0.341729
C -1.174687 -0.376524 -0.106315
C -2.502947 0.392829 0.071882
C 0.073610 0.494262 0.159887
C -3.753146 -0.472093 -0.204258
C 1.402775 -0.273679 -0.020187
C -5.078246 0.305045 -0.040158
C 2.643828 0.616819 0.228667
C -6.330928 -0.568578 -0.318641
C 3.955983 -0.165892 0.050596
C -7.622662 0.217675 -0.242293
C -8.662917 -0.049797 0.587202
C 6.830469 -0.160508 -0.180438
H -1.164090 -1.252705 0.575558
H -1.123757 -0.784798 -1.137460
H -2.509888 1.272233 -0.606005
H -2.557367 0.797014 1.104275
H 0.023005 0.902984 1.190558
H 0.061202 1.369451 -0.522935
H -3.753012 -1.347086 0.479142
H -3.695072 -0.882997 -1.234232
H 1.421926 -1.140304 0.673164
H 1.447749 -0.691930 -1.047214
H -5.080666 1.176136 -0.728320
H -5.146319 0.718322 0.985999
H 2.628315 1.475460 -0.470977
H 2.596427 1.036978 1.252856
H -6.362784 -1.414945 0.395106
H -6.228019 -1.009843 -1.333396
H 4.011229 -1.001415 0.771672
H 4.052426 -0.559222 -0.976412
H -7.694973 1.081055 -0.924142
H -9.569031 0.566855 0.592690
H -8.636792 -0.895505 1.286111
H 7.964628 1.588656 -0.455836
H 8.834657 0.063369 -0.620005
H 5.934322 -1.931801 -0.072923


