%chk=000049243.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000049243

0 1
 S    3.211100      5.5799998E-02  0.4653000    
 O   -1.296500      0.8236000      -2.236500    
 O   -1.964700      -1.181800       1.956500    
 O   -4.210600       2.649400      0.8017000    
 N   -2.825700       1.678400     -0.7555000    
 N   -3.159000      0.6771000       1.339300    
 C   -1.985100     -0.5985000     -0.3970000    
 C  -0.6246000      -1.300500     -0.5160000    
 C   -3.076900      -1.499300      -1.001600    
 C   0.4910000     -0.4177000      3.5799999E-02
 C   -1.966900      0.6902000      -1.213000    
 C   -2.331400     -0.4043000       1.075900    
 C    1.882600      -1.024000     -0.1435000    
 C   -3.194000      -2.796800     -0.2341000    
 C   -3.464300       1.723900      0.4779000    
 C    4.615700      -1.010500      7.0500001E-02
 C    5.960000     -0.3967000      0.4614000    
 C    6.274800      0.9111000     -0.2698000    
 C    7.664400       1.420600      8.2199998E-02
 H  -0.5897000      -2.243600      3.9200000E-02
 H  -0.4088000      -1.544700      -1.564300    
 H   -4.051000     -0.9933000     -0.9917000    
 H   -2.855100      -1.715600      -2.054500    
 H   0.3301000     -0.2325000       1.104700    
 H   0.4860000      0.5629000     -0.4527000    
 H    1.936200      -1.978100      0.3917000    
 H    2.059900      -1.220300      -1.206400    
 H   -3.950100      -3.421800     -0.7256000    
 H   -3.548100      -2.663200      0.7912000    
 H   -2.278600      -3.391700     -0.2277000    
 H   -2.938600       2.493500      -1.351800    
 H   -3.517700      0.7540000       2.286900    
 H    4.493600      -1.960600      0.6013000    
 H    4.610300      -1.222200      -1.004100    
 H    6.746000      -1.128900      0.2370000    
 H    5.992200     -0.2312000       1.545900    
 H    5.548600       1.688800     -1.1300000E-02
 H    6.214500      0.7547000      -1.353100    
 H    7.871600       2.354400     -0.4497000    
 H    8.432400      0.6928000     -0.1986000    
 H    7.750400       1.614800       1.156100    


%chk=000049243-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000049243

0 1
S 3.236416 0.111152 0.409474
O -1.668419 0.734122 -2.389475
O -2.122071 -1.243937 2.007908
O -4.012882 2.876472 1.003757
N -2.854448 1.749331 -0.686568
N -3.125441 0.756662 1.439606
C -2.064414 -0.619413 -0.374005
C -0.654478 -1.260724 -0.515099
C -3.185154 -1.569778 -0.988908
C 0.498059 -0.345962 -0.037015
C -2.143822 0.660667 -1.227558
C -2.402084 -0.408501 1.109705
C 1.858480 -1.050786 -0.172550
C -3.243321 -2.994523 -0.404635
C -3.382786 1.864012 0.612090
C 4.714547 -1.053387 0.140069
C 6.027642 -0.361614 0.547946
C 6.404162 0.853929 -0.330981
C 7.750225 1.485142 0.084367
H -0.647817 -2.194131 0.074513
H -0.508510 -1.518971 -1.580407
H -4.170126 -1.076586 -0.863988
H -2.982352 -1.613647 -2.075831
H 0.343158 -0.065858 1.023309
H 0.514526 0.586444 -0.633490
H 1.893097 -1.964299 0.448855
H 2.059337 -1.321041 -1.225361
H -4.100444 -3.532896 -0.848422
H -3.369291 -2.989169 0.691195
H -2.331645 -3.570443 -0.638210
H -2.982344 2.568026 -1.290800
H -3.436628 0.849121 2.412442
H 4.536991 -1.956696 0.751164
H 4.731983 -1.337280 -0.928531
H 6.841683 -1.114153 0.489930
H 5.965345 -0.049485 1.609821
H 5.599470 1.611772 -0.273533
H 6.452191 0.532178 -1.391359
H 8.004884 2.349045 -0.556408
H 8.576011 0.752138 0.007624
H 7.714270 1.841268 1.131359


