%chk=000161357.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000161357

0 1
 S   -1.711500     -0.1968000       2.363400    
 P   -1.903200      1.3400000E-02  0.4358000    
 O  -0.7117000      0.7846000     -0.3306000    
 O   -3.195600      0.8524000     -8.5500002E-02
 O   -2.028800      -1.352800     -0.4392000    
 O    2.746100      -2.328100      0.3636000    
 N    3.337500     -8.8799998E-02 -2.3000001E-03
 C    2.903700       1.220400     -0.2503000    
 C   0.6173000      0.4398000     -0.2125000    
 C    1.590200       1.487100     -0.3539000    
 C    2.435400      -1.157300      0.1453000    
 C   0.9877000     -0.8230000      2.4200000E-02
 C    3.916500       2.321800     -0.4003000    
 C    4.768200     -0.3680000      0.1074000    
 C   -3.286200       2.242200      0.1791000    
 C   -2.991900      -2.330100     -8.2999997E-02
 C   -4.575500       2.773400     -0.4101000    
 C   -2.898500      -3.490100      -1.051100    
 H    1.229000       2.492400     -0.5455000    
 H   0.3034000      -1.653300      0.1293000    
 H    4.511600       2.431300      0.5119000    
 H    3.440600       3.290400     -0.5908000    
 H    4.587000       2.123200      -1.242600    
 H    5.189100      0.2083000      0.9367000    
 H    5.263800     -0.1027000     -0.8313000    
 H    4.955700      -1.427800      0.3018000    
 H   -3.272300       2.411000       1.259900    
 H   -2.431000       2.756700     -0.2694000    
 H   -2.799600      -2.688100      0.9322000    
 H   -3.990300      -1.883300     -0.1197000    
 H   -5.438500       2.255900      2.1400001E-02
 H   -4.677600       3.846100     -0.2238000    
 H   -4.606600       2.597700      -1.490500    
 H   -3.629900      -4.264800     -0.8049000    
 H   -3.074700      -3.150800      -2.077200    
 H   -1.895900      -3.930200      -1.029400    


%chk=000161357-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000161357

0 1
S -1.914957 0.002715 2.430833
P -1.977157 0.135880 0.377677
O -0.621511 0.887562 -0.435475
O -3.232344 1.076211 -0.327565
O -2.107379 -1.310625 -0.540503
O 2.922214 -2.405250 0.206913
N 3.435133 -0.112818 -0.068507
C 3.036312 1.206072 -0.268457
C 0.719976 0.469664 -0.274957
C 1.684429 1.519498 -0.370490
C 2.491131 -1.219870 0.033649
C 1.095486 -0.851025 -0.085403
C 4.101813 2.274424 -0.362695
C 4.866055 -0.468627 0.051420
C -3.591394 2.387560 0.297685
C -3.087193 -2.357633 -0.101789
C -4.847450 2.865283 -0.423372
C -2.747100 -3.612516 -0.898683
H 1.359754 2.549707 -0.518770
H 0.368214 -1.664208 -0.044196
H 4.717183 2.322204 0.554998
H 3.631956 3.258932 -0.510917
H 4.790088 2.092019 -1.209113
H 5.325970 0.026897 0.924166
H 5.421700 -0.190758 -0.860873
H 4.907128 -1.560654 0.187658
H -3.761969 2.232968 1.380352
H -2.744327 3.084177 0.156347
H -2.979587 -2.512969 0.988989
H -4.105196 -1.988356 -0.323897
H -5.674541 2.148581 -0.285641
H -5.160134 3.844787 -0.016636
H -4.657455 2.979277 -1.503735
H -3.455783 -4.420064 -0.637212
H -2.821195 -3.419564 -1.981976
H -1.724367 -3.957382 -0.671725


