%chk=000169561.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000169561

0 1
 S   3.6100000E-02   2.178200      0.1472000    
 P   0.8584000      0.4626000     -0.7454000    
 O   0.2876000     -0.8587000      1.1400000E-02
 O    2.457000      0.3776000     -0.4623000    
 O   0.5548000      0.4483000      -2.221300    
 O   -2.192800      0.6039000       1.692300    
 N   -2.825300     -7.2400004E-02 -0.4394000    
 C   -1.738900       2.065300     -0.1533000    
 C   0.7537000      -2.133700     -0.3965000    
 C    2.943200      0.3784000      0.8688000    
 C   -2.263300      0.7981000      0.4800000    
 C   8.3999999E-02  -3.196800      0.4479000    
 C    4.454300      0.2916000      0.8418000    
 C   -3.408900      -1.342500     -7.1300000E-02
 H   -2.248600       2.919500      0.3020000    
 H   -1.924300       2.092700      -1.230500    
 H   0.5104000      -2.283700      -1.452900    
 H    1.839300      -2.189200     -0.2753000    
 H    2.638400       1.300800       1.370800    
 H    2.527600     -0.4725000       1.416200    
 H   0.4322000      -4.194700      0.1668000    
 H   0.2949000      -3.034700       1.510100    
 H   -1.002900      -3.158200      0.3297000    
 H    4.864100      0.2932000       1.855700    
 H    4.778400     -0.6212000      0.3311000    
 H    4.879400       1.134800      0.2873000    
 H   -2.858700      0.1876000      -1.420400    
 H   -4.496200      -1.235900     -8.9599997E-02
 H   -3.085300      -1.649700      0.9260000    
 H   -3.104100      -2.087100     -0.8104000    


%chk=000169561-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000169561

0 1
S -0.289438 0.615534 1.554704
P 0.826264 -0.215934 -0.289925
O 1.291346 -1.797719 0.225231
O 2.363884 0.525289 -0.424172
O -0.023820 -0.077858 -1.631616
O -3.873496 1.170742 0.968318
N -2.783965 0.269211 -0.901394
C -1.522578 1.736250 0.605538
C 0.233542 -2.852343 0.342603
C 3.291103 0.524144 0.755263
C -2.835980 1.027653 0.247292
C 0.929423 -4.086608 0.904820
C 4.497821 1.354436 0.333666
C -3.950593 -0.472320 -1.390116
H -1.739816 2.546831 1.316786
H -0.999734 2.134479 -0.279380
H -0.564324 -2.483959 1.016259
H -0.189023 -3.036544 -0.662236
H 2.762920 0.970069 1.620803
H 3.559969 -0.522293 0.984494
H 0.198841 -4.910334 1.006149
H 1.739034 -4.418775 0.233541
H 1.358006 -3.876806 1.899228
H 5.231329 1.387349 1.160505
H 4.986339 0.910693 -0.549733
H 4.197971 2.386883 0.088375
H -1.877269 0.173732 -1.390471
H -4.218056 -0.156465 -2.415194
H -4.796426 -0.261623 -0.716171
H -3.758774 -1.562113 -1.396667


