%chk=000075935.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000075935

0 1
 S   -2.056900       2.596300      3.0099999E-02
 S    2.100100      -2.624700     -0.1908000    
 O   -1.388600       2.501500      -1.457200    
 O    1.424100      -2.651800       1.295700    
 O   -3.188300       3.503800     -6.5600000E-02
 O  -0.9940000       2.826700      0.9932000    
 O    1.028300      -2.823100      -1.152500    
 O    3.262800      -3.495300     -0.1784000    
 N   -5.996300     -0.6192000      0.6443000    
 N    5.977700      0.7032000     -0.5445000    
 N   -6.468600     -0.9086000     -0.4767000    
 N    6.437900      0.9171000      0.5984000    
 N   -6.905900      -1.172700      -1.497300    
 N    6.864100       1.113100       1.638900    
 C   -1.841700     -9.6400000E-02  0.5753000    
 C    1.810300      9.3300000E-02 -0.5385000    
 C   -2.685200      0.9912000      0.3480000    
 C    2.697800     -0.9887000     -0.3874000    
 C  -0.3908000      3.9900001E-02  0.5622000    
 C   0.3859000     -6.8700001E-02 -0.5406000    
 C   -2.381800      -1.358000      0.8249000    
 C    2.350200       1.382700     -0.6922000    
 C   -4.069000      0.8170000      0.3707000    
 C    4.078100     -0.7867000     -0.3897000    
 C   -4.609100     -0.4446000      0.6204000    
 C    4.594300      0.5000000     -0.5434000    
 C   -3.765500      -1.532000      0.8475000    
 C    3.730200       1.584700     -0.6946000    
 H   6.3900001E-02  0.2378000       1.530600    
 H  -7.0600003E-02 -0.2641000      -1.507900    
 H   -1.742700      -2.218900       1.003100    
 H    1.695500       2.243700     -0.8125000    
 H   -4.747900       1.647300      0.1956000    
 H    4.774200      -1.612500     -0.2715000    
 H   -4.176600      -2.518800       1.043700    
 H    4.122500       2.591100     -0.8158000    
 H   -2.008700       2.262100      -2.185600    
 H   0.5086000      -2.297400       1.359600    


%chk=000075935-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000075935

0 1
S -2.710452 2.819657 -0.154069
S 2.626426 -2.816187 0.120200
O -2.184230 2.828250 -1.941841
O 2.110944 -2.835331 1.907574
O -4.110913 3.615041 -0.000651
O -1.435479 3.280382 0.730636
O 1.346819 -3.271709 -0.760355
O 4.026128 -3.610584 -0.045400
N -6.101471 -1.204943 0.155246
N 6.016702 1.210630 -0.176232
N -7.088158 -0.406891 0.141471
N 7.003704 0.412804 -0.172204
N -8.133266 0.150654 0.142478
N 8.048774 -0.144690 -0.184620
C -1.977500 0.021766 -0.070173
C 1.893581 -0.017408 0.052734
C -3.045085 0.958483 -0.082158
C 2.961151 -0.954152 0.057605
C -0.567613 0.410756 -0.169335
C 0.483918 -0.406354 0.151890
C -2.393288 -1.346532 0.012040
C 2.309062 1.351428 -0.021845
C -4.406795 0.643757 -0.014507
C 4.322673 -0.639137 -0.011621
C -4.761894 -0.725682 0.077497
C 4.677530 0.730809 -0.097005
C -3.741688 -1.714355 0.085977
C 3.657319 1.719594 -0.096709
H -0.368277 1.422293 -0.535987
H 0.283828 -1.418406 0.516472
H -1.631375 -2.130909 -0.021617
H 1.547054 2.135388 0.018959
H -5.155626 1.444500 -0.022517
H 5.071462 -1.439953 -0.010022
H -4.033528 -2.767028 0.138387
H 3.949182 2.772534 -0.143382
H -2.066228 3.783605 -2.219229
H 1.994910 -3.791780 2.181816


