%chk=000150882.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000150882

0 1
 S    6.895500      0.2668000      0.4870000    
 O  -0.2086000       1.924600      -1.683300    
 O    2.142600       2.680700     -0.3155000    
 O    3.025000     -0.7825000      -1.079800    
 O    5.298500     -2.0900000E-02  0.3021000    
 O   -6.116600      0.8875000      9.7800002E-02
 O   -3.248400       4.460500      0.4582000    
 O    7.480200      -1.154300       1.034800    
 O    7.453400      0.4887000     -0.8342000    
 O    7.079100       1.257200       1.531400    
 N   -1.332600      0.2144000      0.2698000    
 N   -3.984800     -0.7653000      8.8299997E-02
 N   -2.307200       2.390300      0.3663000    
 N   -4.681200       2.710500      0.2804000    
 C   0.6089000      0.9447000      -1.041800    
 C    2.068700       1.440000      -1.016600    
 C   4.8700001E-02  0.6847000      0.3615000    
 C    3.034100      0.4441000     -0.3465000    
 C   -1.557700      -1.176300      0.1713000    
 C   -2.406700       1.096500      0.2788000    
 C   -2.886300      -1.639300      8.2000002E-02
 C    4.468500      0.9686000     -0.2983000    
 C  -0.5250000      -2.132800      0.1569000    
 C   -3.788000      0.5099000      0.1790000    
 C  -0.7999000      -3.499100      5.7000000E-02
 C   -3.151500      -3.013700     -1.7999999E-02
 C   -2.113600      -3.940200     -3.0600000E-02
 C   -5.003500       1.377900      0.1795000    
 C   0.3372000      -4.468100      4.6799999E-02
 C   -2.435300      -5.394100     -0.1364000    
 C   -3.393300       3.238900      0.3721000    
 H   0.5366000      3.5999998E-02  -1.649300    
 H    2.391300       1.631600      -2.047600    
 H   0.6659000      2.2600001E-02  0.9719000    
 H   5.2400000E-02   1.630600      0.9199000    
 H    2.744200      0.2186000      0.6846000    
 H    4.835900       1.156500      -1.313400    
 H    4.534500       1.892500      0.2853000    
 H   0.5162000      -1.840200      0.2210000    
 H   0.1468000       2.062500      -2.577900    
 H   -4.184400      -3.350300     -8.5900001E-02
 H    1.520300       3.293600     -0.7430000    
 H    2.164000      -1.208500     -0.9460000    
 H   0.3432000      -5.045500     -0.8834000    
 H    1.306200      -3.961700      0.1170000    
 H   0.2685000      -5.151600      0.8993000    
 H   -3.515500      -5.567900     -0.1949000    
 H   -1.990500      -5.823000      -1.040300    
 H   -2.068900      -5.935400      0.7419000    
 H   -5.451000       3.373600      0.2887000    
 H    6.972000      -1.561700       1.775000    


%chk=000150882-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000150882

0 1
S 7.065938 0.337111 0.443472
O -0.234752 1.570681 -1.952470
O 2.049836 2.657527 -0.882756
O 2.833507 -0.882232 -0.310865
O 5.215194 0.306971 0.625479
O -6.117601 1.228562 0.402276
O -2.891043 4.490554 1.191995
O 7.353983 0.033369 2.206487
O 7.599885 -0.968557 -0.301035
O 7.509222 1.813049 -0.009727
N -1.356987 0.140462 0.290925
N -4.056326 -0.753038 0.166583
N -2.082590 2.332345 0.750148
N -4.452814 2.822168 0.767307
C 0.616542 0.660928 -1.154351
C 2.058741 1.233856 -1.201393
C 0.033299 0.650843 0.270722
C 3.011660 0.573664 -0.188945
C -1.621667 -1.225966 0.104613
C -2.399906 1.067136 0.482286
C -2.997893 -1.649077 0.051958
C 4.463445 0.982477 -0.472111
C -0.597963 -2.202176 -0.023004
C -3.766572 0.529459 0.372742
C -0.914111 -3.565431 -0.193706
C -3.296276 -3.028476 -0.126670
C -2.289195 -3.995122 -0.249512
C -4.895960 1.514024 0.506280
C 0.205123 -4.579571 -0.315189
C -2.638643 -5.458582 -0.435150
C -3.099792 3.278490 0.920641
H 0.622884 -0.353737 -1.590662
H 2.442120 1.068868 -2.234473
H 0.655787 0.019787 0.925019
H -0.006501 1.679100 0.665995
H 2.745547 0.918574 0.830192
H 4.792397 0.594936 -1.454910
H 4.580895 2.077243 -0.415608
H 0.457773 -1.914836 0.015942
H -0.239268 1.287289 -2.900959
H -4.355786 -3.300594 -0.160471
H 1.221696 3.037361 -1.286696
H 3.572303 -1.318033 0.188060
H 0.131166 -5.149858 -1.260657
H 1.195217 -4.096199 -0.285707
H 0.162235 -5.323605 0.503248
H -3.730651 -5.606701 -0.453158
H -2.227768 -5.859426 -1.381475
H -2.226285 -6.082828 0.380414
H -5.177751 3.539700 0.878040
H 6.865605 0.739713 2.723733


