%chk=000038829.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000038829

1 1
 S   -2.165500      -1.424100      -1.043500    
 P   -3.564400     -0.6694000      0.3258000    
 O   -3.316400      0.9062000      0.6225000    
 O   -3.554800      -1.481300       1.594100    
 N    1.843900      -1.793000     -0.3101000    
 C   0.5618000      -1.864000      -1.052700    
 C    2.270400     -0.3517000      5.9599999E-02
 C    1.726000      -2.583400       1.006600    
 C    2.973500      -2.395400      -1.166700    
 C  -0.5782000      -1.347400     -0.1905000    
 C    1.849800      0.6245000     -0.7674000    
 C    3.020100     -0.2189000       1.170500    
 C    2.235300       1.923200     -0.4349000    
 C    3.405600       1.079800       1.503100    
 C    3.013200       2.150800      0.7004000    
 C    1.815800       3.068900      -1.292900    
 C   -5.184700     -0.7075000     -0.4412000    
 C   -3.301400       1.853200     -0.4305000    
 C   -3.050000       3.229500      0.1478000    
 H   0.6483000      -1.363500      -2.023100    
 H   0.3875000      -2.924500      -1.284600    
 H    1.177500      -3.507600      0.7912000    
 H    2.721800      -2.882300       1.350300    
 H    1.187000      -2.004300       1.763600    
 H    3.912900      -2.342400     -0.6077000    
 H    2.717200      -3.438700      -1.374700    
 H    3.043800      -1.826000      -2.098600    
 H  -0.7114000      -1.951400      0.7105000    
 H  -0.4422000     -0.3121000      0.1293000    
 H    1.271400      0.4871000      -1.669600    
 H    3.386600      -1.011600       1.806500    
 H    4.018700       1.257000       2.382100    
 H    3.321300       3.157200      0.9714000    
 H   0.7563000       3.291700      -1.130300    
 H    2.393600       3.972800      -1.072500    
 H    1.971900       2.835400      -2.351600    
 H   -5.184400     -0.2004000      -1.409400    
 H   -5.496200      -1.743400     -0.6047000    
 H   -5.922500     -0.2257000      0.2063000    
 H   -2.511000       1.599700      -1.142600    
 H   -4.263100       1.846600     -0.9499000    
 H   -3.033400       3.987600     -0.6403000    
 H   -3.826700       3.491000      0.8740000    
 H   -2.093900       3.254100      0.6812000    


%chk=000038829-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000038829

1 1
S -1.971139 0.645304 -1.923937
P -3.259216 -0.844526 -0.634928
O -3.926747 0.120082 0.634652
O -2.337270 -1.992055 -0.002007
N 1.305595 -1.139952 0.088461
C 0.261294 -0.761060 -1.008542
C 2.402291 -0.085828 0.222358
C 0.546350 -1.394554 1.397540
C 1.947199 -2.470984 -0.334494
C -0.492789 0.546098 -0.729728
C 3.048211 0.363360 -0.953491
C 2.796651 0.381598 1.490879
C 4.098351 1.310876 -0.879624
C 3.846751 1.327156 1.567007
C 4.487470 1.787507 0.401493
C 4.795171 1.803099 -2.132906
C -4.624493 -1.402068 -1.766205
C -4.792400 1.308964 0.334227
C -5.067115 1.981873 1.674120
H 0.793036 -0.705838 -1.970670
H -0.446637 -1.606133 -1.024865
H -0.362434 -1.970640 1.157679
H 1.197928 -1.949277 2.088400
H 0.251431 -0.438135 1.848824
H 2.715326 -2.740109 0.405500
H 1.162615 -3.242347 -0.375310
H 2.413921 -2.349724 -1.322398
H -0.899610 0.598332 0.291699
H 0.109439 1.446644 -0.925463
H 2.755685 -0.005783 -1.942472
H 2.325450 0.039334 2.414474
H 4.159925 1.698675 2.547598
H 5.298690 2.519689 0.479330
H 4.702793 2.899837 -2.233968
H 5.875938 1.573961 -2.100613
H 4.381459 1.344743 -3.046466
H -5.137011 -0.535396 -2.211568
H -4.187450 -2.022098 -2.563828
H -5.337331 -2.002933 -1.178273
H -4.251201 1.978028 -0.363086
H -5.729673 0.958820 -0.140206
H -5.721534 2.859160 1.519747
H -5.573904 1.287913 2.364620
H -4.130018 2.324688 2.143243


