%chk=000105524.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000105524

0 1
 S   -5.261900      0.2428000     -0.4678000    
 O   -5.643300       1.591000     -0.8462000    
 O   -5.788100     -0.8842000      -1.215900    
 O    5.387000       1.932400      0.5418000    
 N   -5.568500      1.0100000E-02   1.213200    
 N   0.6573000     -6.1900001E-02 -0.7576000    
 N    1.132500     -0.2601000      0.3852000    
 N    6.722500     -0.5077000      0.1176000    
 C   -3.495300      0.1522000     -0.5548000    
 C   -2.754500       1.310400     -0.4099000    
 C   -2.895000      -1.075200     -0.7652000    
 C  -0.7377000      1.0100000E-02 -0.6897000    
 C   -5.112500      -1.260700       1.831700    
 C   -5.374200       1.170200       2.119700    
 C    3.171300      -1.552700      0.1056000    
 C   -1.363100       1.238800     -0.4782000    
 C   -1.503600      -1.146900     -0.8333000    
 C    2.534300     -0.3327000      0.3165000    
 C    5.313800     -0.4393000      0.1859000    
 C    4.563500      -1.606000      4.0100001E-02
 C    4.671800      0.7812000      0.3970000    
 C    3.279500      0.8344000      0.4624000    
 C    2.389200      -2.815300     -5.3300001E-02
 C    5.675000       2.669100     -0.6447000    
 H   -3.222800       2.274400     -0.2377000    
 H   -3.473000      -1.987500     -0.8743000    
 H   -4.051300      -1.211500       2.090700    
 H   -5.689700      -1.450100       2.742400    
 H   -5.288500      -2.103900       1.158100    
 H   -5.840500      0.9650000       3.088600    
 H   -4.310100       1.366500       2.275400    
 H   -5.857600       2.062100       1.712200    
 H  -0.7748000       2.145600     -0.3640000    
 H   -1.025300      -2.108900     -0.9976000    
 H    5.067400      -2.555600     -0.1258000    
 H    2.781000       1.786500      0.6286000    
 H    1.678900      -2.937700      0.7712000    
 H    1.842900      -2.807500      -1.002000    
 H    3.037500      -3.698400     -5.0099999E-02
 H    7.274300      0.3311000      0.2383000    
 H    7.180400      -1.396700     -3.2400001E-02
 H    4.748600       3.021600      -1.109100    
 H    6.241500       2.058900      -1.355100    
 H    6.280200       3.537400     -0.3700000    


%chk=000105524-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000105524

0 1
S -5.210234 1.171992 0.731480
O -5.461574 1.489286 2.307034
O -5.742509 2.126234 -0.473449
O 5.542786 0.187055 -2.111618
N -6.052993 -0.511490 0.430239
N 0.781373 0.443392 -0.186271
N 1.518322 0.051626 0.837917
N 7.035989 -0.610352 -0.068392
C -3.348998 0.944598 0.487746
C -2.567241 0.566512 1.598653
C -2.813979 1.171778 -0.793346
C -0.605050 0.593225 0.122526
C -5.852827 -0.944077 -0.971821
C -5.641279 -1.489455 1.463270
C 3.713749 -0.531496 1.666149
C -1.185100 0.388692 1.411446
C -1.427764 0.992077 -0.968230
C 2.891280 -0.102158 0.570669
C 5.687214 -0.454099 0.176164
C 5.094241 -0.698492 1.443898
C 4.841088 -0.022643 -0.908332
C 3.475106 0.148865 -0.715279
C 3.119538 -0.799426 3.035105
C 4.760688 0.630528 -3.268637
H -3.034025 0.449320 2.582541
H -3.460644 1.507590 -1.610319
H -4.834316 -1.342281 -1.183036
H -6.591992 -1.739246 -1.179045
H -6.070266 -0.094377 -1.640147
H -6.376026 -2.315016 1.445648
H -4.624564 -1.915983 1.305947
H -5.697337 -1.005178 2.452416
H -0.531038 0.101931 2.239745
H -0.952866 1.160666 -1.939835
H 5.735370 -1.025926 2.270944
H 2.800753 0.474761 -1.512409
H 2.636156 0.105863 3.442552
H 2.335536 -1.575002 2.984419
H 3.897182 -1.131185 3.744420
H 7.389169 -0.416595 -1.003535
H 7.674753 -0.910005 0.662565
H 4.275599 1.604495 -3.067194
H 3.991214 -0.118739 -3.535163
H 5.484615 0.734036 -4.089935


