%chk=000017580.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000017580

0 1
 S   -1.395100      1.8600000E-02 -0.9183000    
 S    3.015100      -2.034300     -0.3536000    
 S   -4.747600      0.8406000      -1.597700    
 P   -3.349400      0.5355000     -0.2552000    
 O    4.096200      0.4202000     -0.1680000    
 O   -3.183800       1.802300      0.7656000    
 O   -3.791600     -0.5872000      0.8486000    
 O   0.6259000      -3.095100     -6.7400001E-02
 N   0.8641000     -0.7797000      0.2591000    
 N    1.828500      0.2006000      0.2320000    
 C  -0.4826000     -0.4092000      0.5765000    
 C    1.289300      -2.070200     -2.9600000E-02
 C    2.971500     -0.3195000     -7.0500001E-02
 C    3.896600       1.800800      9.1100000E-02
 C    5.221700       2.522300     -3.2200001E-02
 C   -2.794300       3.073800      0.2732000    
 C   -4.064600      -1.919400      0.4465000    
 H  -0.9805000      -1.255000       1.059800    
 H  -0.4766000      0.4374000       1.270000    
 H    3.193400       2.225200     -0.6356000    
 H    3.509600       1.945500       1.106900    
 H    5.104400       3.592200      0.1615000    
 H    5.950900       2.113300      0.6750000    
 H    5.641700       2.388900      -1.034600    
 H   -2.009200       2.979300     -0.4806000    
 H   -2.412400       3.667100       1.107700    
 H   -3.660600       3.584300     -0.1545000    
 H   -3.362100      -2.250400     -0.3221000    
 H   -5.087500      -1.986600      6.8000004E-02
 H   -3.967200      -2.571900       1.317700    


%chk=000017580-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000017580

0 1
S -1.277121 1.113354 -0.781245
S 2.605801 -2.043156 -0.163630
S -4.694240 0.503657 -1.958392
P -3.462945 0.522287 -0.306169
O 4.215760 0.157480 -0.223992
O -3.863043 1.559480 1.029399
O -3.341649 -0.879866 0.696839
O -0.138963 -2.439775 0.357043
N 0.771476 -0.255724 0.551137
N 1.943949 0.515769 0.371964
C -0.454883 0.453872 0.842276
C 0.807845 -1.633161 0.295959
C 2.947205 -0.267508 0.016904
C 4.456348 1.639040 -0.090789
C 5.920584 1.865308 -0.438898
C -4.130845 2.978391 0.709498
C -3.409461 -2.223572 0.062215
H -1.183389 -0.225954 1.310177
H -0.230441 1.321478 1.473703
H 3.763338 2.156065 -0.778944
H 4.209063 1.928563 0.946707
H 6.156121 2.942119 -0.358875
H 6.581270 1.313174 0.250403
H 6.136128 1.538414 -1.469898
H -3.226397 3.465017 0.298509
H -4.401802 3.429753 1.674965
H -4.969396 3.066848 -0.004787
H -2.418300 -2.495808 -0.333382
H -4.181935 -2.241098 -0.727553
H -3.686275 -2.895048 0.888156


