%chk=000135963.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000135963

0 1
 S   0.6292000      -1.709900      0.5710000    
 O    1.481400      -2.805400      0.1454000    
 O   0.1516000      -1.673200       1.941200    
 N  -0.7201000      -1.549400     -0.5194000    
 C    1.537300     -0.2121000      0.2987000    
 C   -1.578100     -0.4261000     -0.3180000    
 C  -0.4833000      -1.977000      -1.933900    
 C    1.243300      0.8995000       1.065000    
 C    2.518500     -0.1899000     -0.6740000    
 C   -1.249300      0.8112000     -0.8720000    
 C   -2.745700     -0.5661000      0.4324000    
 C    1.957500       2.078300      0.8503000    
 C    3.232800      0.9889000     -0.8885000    
 C   -2.087800       1.908500     -0.6754000    
 C   -3.584200      0.5313000      0.6288000    
 C    2.952200       2.122900     -0.1262000    
 C   -3.255200       1.768500      7.4800000E-02
 H   0.2452000      -1.326200      -2.424500    
 H   -1.422300      -1.945700      -2.496800    
 H  -0.1269000      -3.010800      -1.955200    
 H   0.4736000      0.8859000       1.830400    
 H    2.746200      -1.059900      -1.281800    
 H  -0.3631000      0.9396000      -1.486700    
 H   -3.010900      -1.525800      0.8681000    
 H    1.738500       2.961500       1.443200    
 H    4.006100       1.024500      -1.650400    
 H   -1.835000       2.870100      -1.112300    
 H   -4.493300      0.4224000       1.212700    
 H    3.507700       3.040900     -0.2939000    
 H   -3.908900       2.622400      0.2264000    


%chk=000135963-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000135963

0 1
S 0.561509 -1.778589 0.520789
O 1.425294 -3.036825 -0.047930
O -0.087632 -1.775139 2.009814
N -0.975887 -1.577222 -0.781324
C 1.636475 -0.227226 0.356727
C -1.754585 -0.415484 -0.501658
C -0.407442 -1.756762 -2.135123
C 1.279013 0.911447 1.099334
C 2.745852 -0.288391 -0.504226
C -1.874125 0.679546 -1.407762
C -2.493330 -0.391692 0.720311
C 2.088450 2.062495 0.958730
C 3.543306 0.873080 -0.626981
C -2.725844 1.761838 -1.102283
C -3.314472 0.710082 1.026577
C 3.212031 2.042582 0.098280
C -3.440373 1.790326 0.117696
H 0.182138 -0.897260 -2.522717
H -1.250337 -1.946414 -2.824064
H 0.232749 -2.654017 -2.118102
H 0.417926 0.890387 1.774418
H 2.989619 -1.219130 -1.027068
H -1.323983 0.679531 -2.354120
H -2.412533 -1.242938 1.401257
H 1.842981 2.967239 1.524343
H 4.422654 0.859590 -1.279364
H -2.826961 2.587611 -1.815701
H -3.875357 0.717376 1.967593
H 3.836282 2.937238 -0.000380
H -4.096421 2.635619 0.352336


