%chk=000078732.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000078732

0 1
 S    2.269700      0.2193000     -0.4917000    
 O   -2.646900      -1.407100     -0.1694000    
 O    2.456300     -0.9618000      -1.321600    
 O    2.844700       1.492000     -0.9038000    
 O    4.740000      -1.460600      0.2617000    
 O   -4.920900      -1.149100      0.1638000    
 N   -3.482300      0.6781000      0.3166000    
 C   0.5538000      0.4310000     -0.2378000    
 C    2.912700     -0.1412000       1.126500    
 C  -0.3004000     -0.6728000     -0.3318000    
 C   -1.644100     -0.4510000     -0.1217000    
 C   -2.126800      0.8069000      0.1688000    
 C   4.9500000E-02   1.714000      5.9799999E-02
 C   -1.317000       1.915300      0.2689000    
 C    4.413200     -0.3581000       1.098000    
 C   -3.801400     -0.6549000      0.1136000    
 H    2.660100      0.6967000       1.782600    
 H    2.401300      -1.044800       1.473900    
 H   6.4700000E-02  -1.669200     -0.5527000    
 H   0.7171000       2.568300      0.1389000    
 H    4.933900      0.5226000      0.7100000    
 H    4.793300     -0.5631000       2.103600    
 H   -1.711000       2.897600      0.4996000    
 H   -4.125200       1.429000      0.5347000    
 H    4.280900      -2.241900      0.6146000    


%chk=000078732-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000078732

0 1
S 2.401109 0.513684 -0.357942
O -2.561647 -1.472239 -0.152732
O 2.703594 -0.783912 -1.336934
O 2.912010 2.014329 -0.755437
O 4.117874 -2.119006 0.666184
O -4.934424 -1.431049 0.045330
N -3.577559 0.539672 0.203874
C 0.527150 0.595713 -0.123464
C 3.167240 0.054182 1.385002
C -0.200025 -0.608435 -0.234876
C -1.580440 -0.461420 -0.093412
C -2.199978 0.801218 0.128206
C -0.040377 1.867127 0.078041
C -1.446151 1.984478 0.211450
C 4.432404 -0.782464 1.147448
C -3.858401 -0.828496 0.039369
H 3.339707 1.040292 1.846198
H 2.382411 -0.523650 1.898224
H 0.279960 -1.567359 -0.449208
H 0.606226 2.750576 0.095559
H 5.131655 -0.243957 0.473332
H 4.934881 -0.918429 2.122341
H -1.913650 2.961157 0.363573
H -4.321403 1.219393 0.349273
H 3.713035 -2.006203 -0.244300


