%chk=000178384.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000178384

0 1
 S   -2.627600      0.9968000      4.8799999E-02
 P  -1.2000001E-03  0.3537000     -0.5255000    
 O   -1.050300       1.150000      0.4417000    
 O  -0.1678000      0.7635000      -1.974200    
 O   -3.067400     -0.3628000      0.2865000    
 O   -2.883700       1.680200      -1.202700    
 N    1.481000      0.6944000      0.1126000    
 N  -0.2447000      -1.250700     -0.2311000    
 C    2.655700     -1.3800000E-02 -0.3909000    
 C    1.891400       2.091700      0.2513000    
 C  -0.2544000      -1.726300       1.152400    
 C   0.5239000      -2.239900     -0.9830000    
 C    3.792000      0.6029000      0.3988000    
 C    3.375200       2.052200      0.5897000    
 C  -0.2135000      -3.245600       1.064600    
 C   5.1899999E-02  -3.556000     -0.3995000    
 C   -3.260600       2.009700       1.360600    
 H    2.786000      0.1171000      -1.469900    
 H    2.689300      -1.060600     -0.1153000    
 H    1.317900       2.598700       1.033400    
 H    1.736900       2.633200     -0.6894000    
 H   -1.136600      -1.387500       1.701900    
 H   0.6283000      -1.372700       1.697600    
 H    1.600400      -2.219600     -0.8998000    
 H   0.2828000      -2.185900      -2.049800    
 H    4.753200      0.5143000     -0.1165000    
 H    3.889700      0.1184000       1.378600    
 H    3.565700       2.375100       1.618800    
 H    3.938500       2.710800     -8.0399998E-02
 H   -1.157900      -3.696400       1.387600    
 H   0.5861000      -3.645100       1.698100    
 H   0.7848000      -4.358900     -0.5254000    
 H  -0.8798000      -3.874100     -0.8838000    
 H   -2.848800       3.015800       1.261300    
 H   -4.348500       2.041100       1.271300    
 H   -2.977300       1.567000       2.317400    


%chk=000178384-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000178384

0 1
S -1.813390 1.266884 1.367260
P 0.411017 0.143012 -0.903034
O -1.051240 1.028620 -0.309116
O 0.413979 0.483415 -2.466970
O -0.996472 2.341200 2.264992
O -2.207938 -0.163081 2.027378
N 1.621806 0.726674 0.172457
N 0.310513 -1.537514 -0.586485
C 2.938574 0.032970 0.320319
C 1.746352 2.201409 0.460328
C 0.127996 -2.133302 0.774507
C -0.100353 -2.487593 -1.671237
C 3.721933 1.001147 1.232351
C 3.257406 2.394994 0.739323
C -0.131327 -3.628534 0.469892
C -0.849286 -3.600529 -0.903410
C -3.365381 2.088810 0.647557
H 3.451670 -0.086835 -0.656928
H 2.810170 -0.966707 0.769438
H 1.125617 2.456589 1.336161
H 1.403167 2.805785 -0.399789
H -0.735690 -1.674897 1.296567
H 1.027591 -1.982011 1.397890
H 0.799605 -2.882690 -2.181014
H -0.720681 -1.977754 -2.427888
H 4.812559 0.854501 1.150706
H 3.424882 0.848479 2.285644
H 3.437261 3.192260 1.479936
H 3.791267 2.662293 -0.191297
H -0.734356 -4.103853 1.261666
H 0.825778 -4.176389 0.388058
H -0.806642 -4.568706 -1.430450
H -1.910862 -3.322640 -0.771130
H -3.814696 1.342949 -0.019495
H -4.001712 2.339559 1.507858
H -3.008518 2.972186 0.103753


