%chk=000163122.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000163122

0 1
 S    1.665300      -4.173500      0.8600000    
 O    2.056400      0.1570000       2.232700    
 O   -1.880700      0.9948000      -1.003400    
 O   -5.787700       1.988900      -1.003900    
 O    2.725600      -1.376000      -1.431800    
 N    1.382200      -1.541500      0.8106000    
 N  -0.6923000      0.6669000      0.9728000    
 N   -4.059700       1.512700      0.4186000    
 N    3.003100       1.889100      -1.203900    
 N    1.072500      -2.297600      -2.740300    
 N    4.895200       2.454300     -0.1877000    
 C   -3.094700      0.6072000       1.014000    
 C   0.6325000      0.7747000      0.4328000    
 C   0.6836000      -2.040100     -0.3744000    
 C   -3.544400     -0.8452000       1.051000    
 C   -4.243400      -1.233800     -0.2446000    
 C    1.424800     -0.2202000       1.242900    
 C   0.3281000      -3.504300     -0.1603000    
 C    2.113100      -2.564400       1.544500    
 C    1.232100       2.168100      0.5754000    
 C   -1.845800      0.7864000      0.2064000    
 C   -5.429300     -0.3185000     -0.4937000    
 C   -5.096800       1.156200     -0.4147000    
 C    1.606900      -1.870100      -1.547800    
 C    2.656200       2.219300      7.5900003E-02
 C    3.840500       2.564200      0.6836000    
 C    4.356800       2.045300      -1.315000    
 H   0.6166000      0.5142000     -0.6284000    
 H   -2.922600      0.9690000       2.034400    
 H  -0.2271000      -1.471000     -0.5757000    
 H   -2.696300      -1.515500       1.233200    
 H   -4.246100     -0.9835000       1.883500    
 H   -3.541300      -1.175600      -1.084500    
 H   -4.584800      -2.273300     -0.1859000    
 H   0.2111000      -4.093900      -1.072600    
 H  -0.5976000      -3.585500      0.4194000    
 H    1.854400      -2.504900       2.606200    
 H    3.186300      -2.382200       1.432300    
 H   0.6324000       2.890200      6.5000001E-03
 H    1.202200       2.506300       1.619600    
 H  -0.7892000      0.5135000       1.973200    
 H   -6.215200     -0.5141000      0.2454000    
 H   -5.845300     -0.5259000      -1.485800    
 H   -3.878400       2.507100      0.5195000    
 H    2.376500       1.586400      -1.937900    
 H    3.989000       2.885900       1.704300    
 H    1.604300      -2.230900      -3.601800    
 H   0.1297000      -2.665000      -2.817800    
 H    4.883800       1.845800      -2.237100    


%chk=000163122-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000163122

0 1
S 0.890163 -4.145011 -0.298310
O 1.037147 -0.446893 2.200896
O -1.928188 -0.022698 -0.885841
O -6.178429 0.348191 -1.514094
O 2.248570 -0.244911 -2.648697
N 1.129344 -1.450970 0.101356
N -0.920208 1.312227 0.722806
N -4.455064 1.183511 -0.223901
N 3.362424 1.545969 -0.790142
N 2.608762 -2.538991 -2.601093
N 5.169289 2.050043 0.484112
C -3.385550 1.111772 0.776127
C 0.459629 0.984270 0.307904
C 0.697079 -1.583326 -1.316835
C -3.731523 0.069567 1.877367
C -4.203905 -1.254645 1.243803
C 0.883520 -0.365389 0.945419
C -0.059530 -2.923374 -1.405957
C 1.669917 -2.693338 0.681104
C 1.402074 2.121852 0.789422
C -2.024797 0.751642 0.118450
C -5.472453 -1.011705 0.399062
C -5.392212 0.198982 -0.532480
C 1.913526 -1.410697 -2.256373
C 2.859766 1.957132 0.455215
C 3.992910 2.265950 1.218475
C 4.748858 1.608869 -0.720046
H 0.475384 0.934323 -0.792926
H -3.283006 2.108559 1.253154
H -0.023595 -0.784056 -1.554977
H -2.847694 -0.089912 2.521927
H -4.535795 0.488413 2.512151
H -3.402316 -1.668218 0.604162
H -4.411101 -1.999508 2.033619
H -0.092998 -3.328208 -2.428977
H -1.079723 -2.801206 -1.013961
H 1.400537 -2.749033 1.744970
H 2.762557 -2.759000 0.552785
H 1.004693 3.065563 0.361574
H 1.326299 2.191901 1.890972
H -1.033820 1.862486 1.577804
H -6.348104 -0.846000 1.058485
H -5.720078 -1.882725 -0.231180
H -4.423639 1.950758 -0.902367
H 2.833422 1.130375 -1.574742
H 4.028939 2.624788 2.245330
H 3.431014 -2.448741 -3.199879
H 2.365577 -3.449064 -2.187862
H 5.394832 1.327480 -1.548112


