%chk=000049336.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000049336

0 1
 S   0.4644000       1.875300      0.3291000    
 O   0.6752000       2.905400     -0.6778000    
 O   0.5449000       2.218500       1.742200    
 O   -5.427600      -1.527600       1.366400    
 N   -4.786300     -0.6701000     -0.7341000    
 N    5.975000      -2.084300     -0.2775000    
 C    1.649000      0.5799000      4.2300001E-02
 C    3.086100       1.035400      0.2652000    
 C   -1.081500       1.125800      1.6200000E-02
 C    4.102700     -6.2899999E-02  7.4199997E-02
 C   -1.775500      0.4997000       1.051500    
 C   -1.622200       1.153400      -1.269200    
 C   -3.551300     -7.1099997E-02 -0.4840000    
 C   -3.010400     -9.8800004E-02  0.8013000    
 C   -2.857100      0.5550000      -1.519300    
 C    4.471600     -0.8437000       1.152700    
 C    4.651200     -0.2722000      -1.176600    
 C    5.408700      -1.838700      0.9253000    
 C    5.580300      -1.292600      -1.299800    
 C   -5.621700      -1.340100      0.1697000    
 C   -6.875700      -1.846400     -0.4978000    
 H    1.397200     -0.2438000      0.7194000    
 H    1.511000      0.2331000     -0.9876000    
 H    3.194300       1.452400       1.275200    
 H    3.321500       1.869200     -0.4093000    
 H   -1.368500      0.4614000       2.058100    
 H   -1.096000       1.628900      -2.092100    
 H   -3.486900     -0.5654000       1.652100    
 H   -3.265900      0.5827000      -2.526300    
 H    4.051600     -0.6969000       2.141400    
 H    4.373800      0.3282000      -2.035700    
 H   -5.112300     -0.6076000      -1.696300    
 H    5.738600      -2.485600       1.731600    
 H    6.046200      -1.507000      -2.256000    
 H   -7.450400      -1.003400     -0.8918000    
 H   -7.489500      -2.387100      0.2279000    
 H   -6.613600      -2.524300      -1.315000    


%chk=000049336-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000049336

0 1
S 0.494711 1.873895 0.238348
O 0.742117 2.923004 -0.998925
O 0.588220 2.337472 1.808065
O -5.577596 -1.538124 1.359167
N -4.961844 -0.659485 -0.730258
N 6.216950 -2.090296 -0.198081
C 1.811524 0.458217 0.017187
C 3.202716 1.068697 0.249540
C -1.181203 1.051092 -0.039946
C 4.265182 -0.010643 0.099218
C -1.843534 0.473466 1.054833
C -1.735860 1.109136 -1.329579
C -3.691133 -0.092913 -0.447247
C -3.110500 -0.112444 0.853049
C -3.000803 0.526756 -1.528596
C 4.657314 -0.816474 1.198080
C 4.877882 -0.273371 -1.151981
C 5.623428 -1.829589 1.005663
C 5.835855 -1.307633 -1.252131
C -5.832666 -1.334890 0.138144
C -7.129848 -1.811455 -0.508578
H 1.529778 -0.299239 0.765850
H 1.652004 0.092882 -1.009701
H 3.234699 1.510676 1.262155
H 3.365059 1.881133 -0.481826
H -1.393561 0.505063 2.052920
H -1.203387 1.621046 -2.137914
H -3.657613 -0.574349 1.676211
H -3.459332 0.558908 -2.524797
H 4.227476 -0.652456 2.192954
H 4.622936 0.324140 -2.034799
H -5.280918 -0.559477 -1.696460
H 5.945809 -2.461481 1.841099
H 6.326773 -1.525314 -2.207558
H -7.982277 -1.342636 0.012627
H -7.221298 -2.901556 -0.364585
H -7.206157 -1.587057 -1.586546


