%chk=000117144.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000117144

0 1
 S   0.4247000     -0.7382000       1.221300    
 O   0.7779000      0.1497000       2.312500    
 O   0.1922000      -2.147500       1.473400    
 O   -1.626700      -2.286600     -0.3495000    
 N    1.570200     -0.5832000     -2.5200000E-02
 N   -2.736700       3.148400      6.0699999E-02
 C    1.870800      0.7502000     -0.5902000    
 C    3.295200      0.7888000      -1.133400    
 C    4.344700      0.5272000     -5.0400000E-02
 C   -1.035900     -0.1042000      0.4535000    
 C   -1.884200     -0.9533000     -0.2386000    
 C   -1.303700       1.251500      0.5611000    
 C    5.755800      0.6364000     -0.6071000    
 C   -2.450400       1.771100     -3.9600000E-02
 C   -3.030800     -0.4335000     -0.8394000    
 C   -3.313900      0.9286000     -0.7398000    
 C  -0.8491000      -2.705300      -1.469300    
 H    1.752500       1.526200      0.1726000    
 H    1.168100      0.9520000      -1.405300    
 H    3.404300      4.2700000E-02  -1.930500    
 H    3.472400       1.771300      -1.587300    
 H    1.728800      -1.381900     -0.6515000    
 H    4.211900     -0.4726000      0.3780000    
 H    4.224000       1.249200      0.7656000    
 H  -0.6358000       1.917000       1.101000    
 H    5.919600     -9.3599997E-02  -1.406200    
 H    5.942100       1.636600      -1.011000    
 H    6.490100      0.4469000      0.1821000    
 H   -3.708100      -1.083900      -1.386400    
 H   -4.210600       1.321500      -1.212400    
 H   -3.567600       3.525700     -0.3752000    
 H   -2.110800       3.760100      0.5673000    
 H  -0.2224000      -1.901200      -1.868300    
 H   -1.522300      -3.058700      -2.256000    
 H  -0.2085000      -3.534600      -1.157400    


%chk=000117144-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000117144

0 1
S 0.477164 -0.116760 1.423927
O 0.810538 1.253206 2.240832
O 0.286783 -1.523516 2.200313
O -0.628332 -1.666116 -0.937861
N 1.852362 -0.358064 0.217092
N -3.777194 2.835033 0.466278
C 2.282397 0.882036 -0.480911
C 3.673524 0.640966 -1.113241
C 4.790064 0.403935 -0.072998
C -1.088841 0.273044 0.410288
C -1.494544 -0.601578 -0.621544
C -1.810369 1.410327 0.783145
C 6.158865 0.129233 -0.730993
C -3.031919 1.710055 0.113010
C -2.709719 -0.306080 -1.282988
C -3.467055 0.825225 -0.914594
C -1.172832 -2.760823 -1.748433
H 2.351650 1.680526 0.279766
H 1.558456 1.206747 -1.261095
H 3.622834 -0.222056 -1.809274
H 3.918655 1.528744 -1.732395
H 1.514241 -1.109751 -0.413859
H 4.497122 -0.441239 0.576258
H 4.862539 1.292606 0.585889
H -1.417081 2.043787 1.587052
H 6.118423 -0.773100 -1.370885
H 6.477019 0.977428 -1.367322
H 6.943754 -0.033909 0.029992
H -3.072693 -0.950161 -2.090003
H -4.408587 1.029216 -1.438099
H -4.657457 3.044085 0.005414
H -3.469889 3.447726 1.215568
H -1.358070 -2.433914 -2.789831
H -2.105773 -3.152799 -1.302361
H -0.398234 -3.541259 -1.737035


