%chk=000127736.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000127736

0 1
 S  -0.7322000      -2.474900     -0.1771000    
 O    5.867400      -2.519100     -0.1224000    
 O    2.479400       4.893400      0.1828000    
 O   -4.134100       2.625300       1.016500    
 O   -4.494100       1.498300     -0.9272000    
 N   -4.345200     -0.9502000      0.4272000    
 N   -1.595400     -4.0399998E-02 -7.6600000E-02
 C   -3.344600      -1.674700     -0.1669000    
 C   -1.978800      -1.296300     -0.1368000    
 C   0.4284000      -1.214100     -0.1102000    
 C  -0.2147000      5.4000001E-03 -6.1000001E-02
 C    1.832200      -1.550800     -0.1132000    
 C   0.4784000       1.261400      1.7000000E-03
 C   -3.918800      -2.777400     -0.7608000    
 C   -4.185000      0.2857000       1.163300    
 C   -5.548400      -1.573000      0.2208000    
 C   -5.312700      -2.713100     -0.5153000    
 C    2.498900      -1.767300       1.092000    
 C    2.519500      -1.658800      -1.321400    
 C   0.8257000       1.925800      -1.174600    
 C   0.8035000       1.817600       1.238800    
 C    3.855400      -2.092400       1.088900    
 C    3.875900      -1.984000      -1.324400    
 C    1.498400       3.146300      -1.113700    
 C    1.476100       3.038100       1.299700    
 C    4.543900      -2.200700     -0.1193000    
 C    1.823500       3.702400      0.1234000    
 C   -4.294300       1.497100      0.2783000    
 C    6.487700      -2.728500       1.145300    
 C    2.803800       5.518800      -1.057900    
 H   -3.407800      -3.550300      -1.319000    
 H   -4.993600      0.3266000       1.902800    
 H   -3.237800      0.2726000       1.707400    
 H   -6.469700      -1.159100      0.6085000    
 H   -6.063600      -3.418800     -0.8412000    
 H    1.976200      -1.685000       2.042300    
 H    2.014200      -1.491600      -2.269700    
 H   0.5786000       1.504800      -2.146500    
 H   0.5391000       1.312700       2.165000    
 H    4.312300      -2.247200       2.060400    
 H    4.407100      -2.066800      -2.268700    
 H    1.737900       3.608200      -2.065400    
 H    1.726600       3.466500       2.266300    
 H   -4.198000       3.434700      0.4658000    
 H    7.538000      -2.972400      0.9549000    
 H    6.050900      -3.584600       1.670500    
 H    6.476400      -1.818000       1.754100    
 H    1.903500       5.785100      -1.621800    
 H    3.497300       4.908800      -1.646800    
 H    3.321900       6.454300     -0.8227000    


%chk=000127736-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000127736

0 1
S -0.778566 -2.646220 -0.130070
O 5.922847 -3.351520 0.194225
O 2.695793 4.943580 -0.034698
O -4.532976 2.791600 -1.544839
O -4.876223 0.733759 -2.578651
N -4.419721 -0.573589 -0.032419
N -1.414091 -0.074558 0.102774
C -3.407253 -1.559518 0.017092
C -1.991612 -1.271535 0.016208
C 0.548647 -1.396146 -0.042035
C -0.009014 -0.111388 0.051589
C 1.942967 -1.862998 0.022859
C 0.704427 1.189631 0.053338
C -4.052624 -2.814484 0.095571
C -4.227507 0.868474 -0.172170
C -5.660381 -1.202543 0.003170
C -5.461860 -2.588951 0.086588
C 2.877325 -1.266642 0.913531
C 2.390495 -2.961866 -0.770163
C 0.153358 2.288845 0.760560
C 1.904969 1.402549 -0.683168
C 4.208193 -1.723249 0.999920
C 3.710433 -3.432064 -0.689383
C 0.778632 3.554072 0.765472
C 2.538101 2.655451 -0.689935
C 4.630005 -2.810871 0.193493
C 1.981425 3.737652 0.039010
C -4.589180 1.388828 -1.559707
C 6.913370 -2.742450 1.086340
C 2.148980 6.097314 0.683247
H -3.545068 -3.776029 0.165924
H -4.822621 1.420489 0.576827
H -3.156853 1.092954 0.008481
H -6.581314 -0.624448 -0.048498
H -6.245320 -3.342492 0.135867
H 2.554799 -0.438946 1.552654
H 1.693491 -3.440606 -1.467700
H -0.781089 2.143753 1.312113
H 2.336961 0.583813 -1.266235
H 4.893945 -1.236901 1.700055
H 4.054280 -4.271753 -1.300583
H 0.323959 4.375443 1.327320
H 3.455478 2.824788 -1.261719
H -4.719223 3.137978 -2.458936
H 7.840561 -3.307950 0.913370
H 6.611308 -2.836818 2.147422
H 7.074938 -1.675318 0.838956
H 2.093696 5.904571 1.772462
H 1.144593 6.368206 0.303528
H 2.853820 6.918499 0.487043


