%chk=000161384.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000161384

0 1
 S   0.7034000      0.7306000       2.312400    
 P    2.100800      0.2189000      0.8286000    
 O    1.964900      -1.350700      0.4279000    
 O    1.712700      0.9792000     -0.5555000    
 O    3.495500      0.5549000       1.290200    
 N   -2.755200     -0.3506000      0.5061000    
 C   -3.771600      0.4831000     -0.1369000    
 C   -2.415300      -1.488900     -0.3483000    
 C   -1.563700      0.4366000      0.8093000    
 C  -0.7725000     -0.2319000       1.926600    
 C   -4.549700       1.248000      0.9291000    
 C   -3.119700       1.439300      -1.131700    
 C   -3.482000      -2.569500     -0.2026000    
 C   -2.285000      -1.039700      -1.801000    
 C    2.770700      -1.892200     -0.6044000    
 C    1.723200       2.396300     -0.5820000    
 C    4.157200      -2.189000     -5.3800002E-02
 C    2.101900      -3.140700      -1.159100    
 C    3.155300       2.883300     -0.7426000    
 C   0.8291000       2.882800      -1.712300    
 H   -4.525900     -0.1225000     -0.6522000    
 H   -1.471300      -1.955000     -4.4700000E-02
 H   -1.827200       1.437700       1.173000    
 H  -0.9074000      0.5720000     -5.6100000E-02
 H  -0.4590000      -1.249500       1.682000    
 H   -1.382400     -0.2893000       2.835100    
 H   -3.928700       1.942800       1.503500    
 H   -5.020400      0.5571000       1.637900    
 H   -5.350300       1.835600      0.4652000    
 H   -2.977200       2.424100     -0.6637000    
 H   -2.163900       1.239900      -1.599800    
 H   -3.826500       1.621700      -1.952500    
 H   -4.460200      -2.267600     -0.5894000    
 H   -3.606900      -2.857000      0.8476000    
 H   -3.184500      -3.470400     -0.7516000    
 H   -3.188700     -0.6698000      -2.291100    
 H   -1.397700     -0.4302000      -1.991200    
 H   -2.063300      -1.947400      -2.384800    
 H    2.856600      -1.163100      -1.417700    
 H    1.318700       2.790400      0.3556000    
 H    4.095900      -2.777000      0.8684000    
 H    4.760000      -2.741300     -0.7819000    
 H    4.699400      -1.271400      0.1868000    
 H    1.972300      -3.895200     -0.3754000    
 H    2.684800      -3.577900      -1.975300    
 H    1.100400      -2.901100      -1.533000    
 H    3.653000       2.371700      -1.573500    
 H    3.185900       3.962100     -0.9271000    
 H    3.749800       2.692500      0.1537000    
 H    1.165800       2.484800      -2.675800    
 H   0.8144000       3.975400      -1.768700    
 H  -0.1954000       2.529800      -1.566400    


%chk=000161384-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000161384

0 1
S 0.590335 0.984442 2.480881
P 2.274575 0.422533 1.061533
O 1.915737 -1.237734 0.760367
O 1.878365 1.032477 -0.526573
O 3.722727 0.826219 1.589810
N -2.650538 -0.195581 0.064388
C -4.024029 0.371666 0.078154
C -2.283564 -1.202250 -0.968530
C -1.546509 0.645313 0.553538
C -0.855145 -0.042745 1.749562
C -4.543432 0.522569 1.529739
C -4.184233 1.716593 -0.692710
C -3.084636 -2.515934 -0.806479
C -2.363543 -0.679596 -2.432612
C 2.767618 -2.016173 -0.218451
C 2.111343 2.490696 -0.828217
C 4.098067 -2.399280 0.444054
C 1.896043 -3.213974 -0.602515
C 3.600623 2.746487 -1.100533
C 1.204439 2.784267 -2.027138
H -4.666831 -0.376252 -0.425150
H -1.220035 -1.445874 -0.767592
H -1.927778 1.629844 0.879879
H -0.791296 0.841467 -0.237289
H -0.442229 -1.027390 1.483046
H -1.549184 -0.157296 2.599929
H -3.925141 1.242924 2.098650
H -4.508654 -0.448707 2.052864
H -5.584323 0.896802 1.539258
H -3.616047 2.530366 -0.203865
H -3.832042 1.629394 -1.734524
H -5.247278 2.022776 -0.710435
H -4.160556 -2.369549 -1.017311
H -2.984908 -2.900678 0.223311
H -2.713408 -3.283354 -1.511060
H -3.410611 -0.484201 -2.729678
H -1.785453 0.255645 -2.551420
H -1.949579 -1.427718 -3.134864
H 2.939825 -1.364931 -1.098063
H 1.777155 3.074704 0.054917
H 3.915010 -3.014876 1.342273
H 4.715376 -2.984842 -0.262787
H 4.664718 -1.501528 0.745692
H 1.662310 -3.819366 0.290607
H 2.432816 -3.852149 -1.328301
H 0.949232 -2.878837 -1.060086
H 3.940652 2.149029 -1.965452
H 3.761063 3.816023 -1.332532
H 4.210783 2.479986 -0.221109
H 1.488398 2.148820 -2.884414
H 1.306567 3.843215 -2.327628
H 0.147307 2.588260 -1.778236


