%chk=000099886.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000099886

0 1
 S   -3.705700     -0.7726000     -0.1849000    
 O    4.138500       1.568800     -0.6555000    
 O    2.383000     -0.5719000     -0.9003000    
 O    5.807200     -0.3856000      0.4581000    
 O    7.992200      -1.089200      0.2862000    
 N   -5.718900      0.8071000      0.4113000    
 N   -3.493300       1.809500      0.3522000    
 N   -2.205600       1.354600      9.2200004E-02
 C   -6.287700     -0.4624000      0.2053000    
 C   -5.349000      -1.455300     -0.1288000    
 C   -4.340400      0.8440000      0.2472000    
 C   -7.631500     -0.8130000      0.2966000    
 C   -5.714700      -2.771400     -0.3701000    
 C   -6.566400       1.929700      0.7642000    
 C   -8.015200      -2.136900      5.5599999E-02
 C   -7.063300      -3.109000     -0.2756000    
 C    2.803100       1.741800     -0.4499000    
 C   9.0000004E-02   2.119500     -2.8600000E-02
 C    1.922000      0.6675000     -0.5735000    
 C   0.5564000      0.8576000     -0.3612000    
 C    2.318800       3.006000     -0.1142000    
 C   0.9533000       3.196200      9.7700000E-02
 C    5.006700       1.870400      0.4351000    
 C   -1.351500       2.320200      0.1964000    
 C    6.225200      0.9706000      0.3611000    
 C    2.448600     -0.8939000      -2.288200    
 C    6.797900      -1.323100      0.4067000    
 C    6.211200      -2.687600      0.5184000    
 C    4.730700      -2.864900      0.6629000    
 C    7.058600      -3.726500      0.4833000    
 H   -8.393300     -8.2699999E-02  0.5512000    
 H   -4.978500      -3.526100     -0.6266000    
 H   -7.305500       2.124400     -2.0300001E-02
 H   -5.975700       2.843500      0.8893000    
 H   -7.086200       1.745700       1.710600    
 H   -9.063700      -2.414100      0.1260000    
 H   -7.379400      -4.132100     -0.4594000    
 H  -0.1135000      7.8999996E-03 -0.4610000    
 H    2.992200       3.853800     -2.2500001E-02
 H   0.5877000       4.185900      0.3570000    
 H    4.491300       1.700400       1.389200    
 H    5.309400       2.921000      0.3718000    
 H    6.732400       1.114500     -0.6000000    
 H    6.913600       1.206900       1.179900    
 H   -1.675100       3.344600      0.4605000    
 H    1.455500     -0.8324000      -2.744500    
 H    3.142500     -0.2237000      -2.805300    
 H    2.815000      -1.919400      -2.386000    
 H    4.358000      -2.321500       1.537200    
 H    4.216400      -2.496300     -0.2289000    
 H    4.455600      -3.917500      0.7899000    
 H    6.692600      -4.745700      0.5596000    
 H    8.131500      -3.604100      0.3788000    


%chk=000099886-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000099886

0 1
S -4.330795 -1.060209 -0.780916
O 4.030090 0.894787 -0.486862
O 2.037585 -0.983242 -1.313510
O 6.669683 0.030241 0.536894
O 6.473063 -1.357065 -1.338027
N -6.024801 0.645477 0.426228
N -3.752820 1.359883 0.577028
N -2.442594 0.976441 0.202888
C -6.849938 -0.379784 -0.079138
C -6.127073 -1.395713 -0.764307
C -4.661198 0.497123 0.176138
C -8.254773 -0.460134 0.042711
C -6.788410 -2.495786 -1.332350
C -6.550690 1.797399 1.173322
C -8.919412 -1.569040 -0.530110
C -8.198494 -2.578535 -1.211226
C 2.679596 1.187841 -0.229354
C -0.091549 1.594896 0.292933
C 1.716162 0.226076 -0.684058
C 0.354087 0.442029 -0.412662
C 2.242207 2.346407 0.455724
C 0.871981 2.547914 0.716284
C 5.044880 1.808285 0.048337
C -1.507310 1.825956 0.585324
C 6.404970 1.221179 -0.304466
C 3.041289 -0.999355 -2.402541
C 6.643378 -1.225533 -0.101881
C 6.858350 -2.328383 0.891498
C 7.015397 -1.978470 2.356232
C 6.889875 -3.600153 0.405134
H -8.819447 0.316273 0.567779
H -6.228277 -3.275349 -1.858354
H -7.252989 2.376317 0.546217
H -5.699945 2.434798 1.454066
H -7.073304 1.458484 2.086333
H -10.008614 -1.644028 -0.443052
H -8.729097 -3.430375 -1.648627
H -0.372106 -0.301962 -0.751815
H 2.965918 3.089996 0.802314
H 0.548808 3.446871 1.254081
H 4.933589 1.903494 1.146957
H 4.945298 2.812683 -0.415537
H 6.449260 0.934841 -1.369728
H 7.202900 1.943761 -0.062571
H -1.776519 2.741496 1.141404
H 2.849559 -0.179034 -3.120262
H 4.066219 -0.926250 -2.008787
H 2.888684 -1.970808 -2.898068
H 7.872166 -1.299347 2.514065
H 6.121245 -1.450032 2.732546
H 7.167945 -2.888915 2.959994
H 7.036511 -4.459661 1.067895
H 6.762463 -3.790587 -0.665920


