%chk=000014043.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000014043

0 1
 S   0.4864000      -2.708300     -0.6885000    
 S   -1.022000      -1.747000      0.3216000    
 O    2.513800       1.409000     -0.4162000    
 O   -2.244400       1.724300     -0.5532000    
 O    4.316200      0.3442000      0.5506000    
 O   -3.115900      0.9996000       1.454800    
 N    2.869100      -1.803200       1.166500    
 N   -4.052900      -1.245400      0.3744000    
 C    2.156000     -0.7712000      0.4098000    
 C   -3.285000     -0.3925000     -0.5361000    
 C    1.682900      -1.355900     -0.9218000    
 C   -2.061300      -1.160500      -1.038100    
 C    3.143200      0.3641000      0.1987000    
 C   -2.881200      0.8341000      0.2643000    
 C    3.324600       2.563900     -0.6547000    
 C   -1.829400       2.944800      6.8000004E-02
 H    1.342300     -0.3729000       1.023800    
 H   -3.926800     -8.2099997E-02  -1.366900    
 H    2.531300      -1.749300      -1.494700    
 H    1.222100     -0.5861000      -1.551000    
 H   -2.390700      -2.023200      -1.628800    
 H   -1.460200     -0.5162000      -1.688800    
 H    2.245000      -2.591100       1.336400    
 H    3.122600      -1.440100       2.085000    
 H   -4.845800     -0.7274000      0.7506000    
 H   -3.477100      -1.518900       1.169800    
 H    4.158200       2.310900      -1.316700    
 H    3.691600       2.971200      0.2921000    
 H    2.704200       3.319200      -1.144600    
 H   -2.696300       3.484500      0.4607000    
 H   -1.344000       3.564300     -0.6908000    
 H   -1.108700       2.736900      0.8647000    


%chk=000014043-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000014043

0 1
S 0.477734 -2.475529 -1.409555
S -1.195906 -2.444407 0.129944
O 1.936836 1.568463 0.318437
O -1.777185 1.136333 -1.458539
O 3.768758 0.577083 1.353472
O -1.803364 1.561475 0.832422
N 3.003339 -1.925486 0.491818
N -3.573093 -0.667442 1.274802
C 2.012815 -0.859520 0.373017
C -3.144435 -0.333478 -0.084676
C 1.375481 -0.845921 -1.032086
C -2.614316 -1.583143 -0.819616
C 2.692987 0.468826 0.723933
C -2.161718 0.867481 -0.143744
C 2.452530 2.891328 0.757790
C -0.925278 2.340850 -1.653897
H 1.161444 -0.939308 1.100225
H -4.036350 -0.008505 -0.660477
H 2.161273 -0.802483 -1.806778
H 0.656405 -0.026445 -1.159441
H -3.421927 -2.328778 -0.883244
H -2.229860 -1.337772 -1.820352
H 2.622898 -2.871779 0.452595
H 3.732412 -1.761281 1.189163
H -4.106618 0.080971 1.729095
H -2.790145 -0.964660 1.870684
H 3.445420 3.077430 0.316195
H 2.529597 2.919217 1.856965
H 1.709689 3.616207 0.396893
H -1.467450 3.240572 -1.316699
H -0.735219 2.375319 -2.735758
H 0.011048 2.234081 -1.081687


