%chk=000161214.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000161214

0 1
 S    4.018200      -2.075600     -0.7397000    
 O    1.801800      3.5100002E-02  -1.007800    
 O   0.6086000       2.582500       1.230000    
 O    2.771500       2.859700     -0.3917000    
 O   -4.517700      -1.915800      0.3861000    
 N  -0.4133000     -8.7600000E-02 -0.1661000    
 N   -2.320000       1.394000     -0.4764000    
 N   -1.567500      -1.952800      0.3181000    
 N   -4.462100      0.3377000     -0.1633000    
 C    1.308600       1.414300      0.8532000    
 C   0.7309000      0.7885000     -0.4070000    
 C    2.736800       1.689900      0.4258000    
 C    3.057200      0.4753000     -0.4398000    
 C    3.655500     -0.6777000      0.3538000    
 C   -1.729300      0.2257000     -0.2074000    
 C  -0.3650000      -1.425700      0.1583000    
 C   -2.424400     -0.9136000      8.8000000E-02
 C   -3.877600     -0.9049000      0.1237000    
 C   -3.700600       1.364300     -0.4330000    
 C    4.688300      -3.213300      0.4953000    
 H    1.291000      0.7090000       1.692100    
 H   0.4063000       1.541600      -1.135200    
 H    3.418600       1.848100       1.266100    
 H    3.716600      0.7511000      -1.271700    
 H    2.954600      -1.026200       1.119200    
 H    4.581500     -0.3578000      0.8421000    
 H   0.6717000       3.220100      0.4986000    
 H    3.691900       2.985500     -0.6792000    
 H   0.5677000      -1.961500      0.2700000    
 H   -1.817500       2.248300     -0.6937000    
 H   -4.151500       2.343500     -0.6590000    
 H    3.935400      -3.436700       1.255700    
 H    5.574500      -2.783000      0.9690000    
 H    4.975300      -4.147700      5.7999999E-03


%chk=000161214-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000161214

0 1
S 3.823689 -2.184909 -0.417346
O 2.041519 0.205836 -1.400928
O 0.391489 2.906075 0.396032
O 2.825979 3.034728 -0.556091
O -4.331574 -2.184844 0.357543
N -0.229764 -0.179698 -0.716946
N -2.025624 1.290959 0.227768
N -1.380858 -2.156261 -0.701032
N -4.093309 0.136128 0.731934
C 1.123653 1.651511 0.334491
C 0.807035 0.840083 -0.966886
C 2.660084 1.830793 0.269069
C 3.131937 0.533954 -0.433064
C 3.373042 -0.622466 0.550098
C -1.497815 0.089057 -0.214376
C -0.215536 -1.569626 -1.005196
C -2.209292 -1.127342 -0.203424
C -3.595816 -1.167874 0.290681
C -3.349545 1.219571 0.692255
C 4.249471 -3.283992 1.050653
H 0.833910 1.071925 1.225565
H 0.464264 1.522876 -1.768926
H 3.121140 1.966502 1.265859
H 4.034240 0.698879 -1.049604
H 2.478763 -0.832248 1.163994
H 4.223042 -0.376130 1.213737
H 0.936346 3.581006 -0.096924
H 3.774281 3.300037 -0.627491
H 0.673001 -2.050478 -1.404925
H -1.461376 2.154879 0.279441
H -3.761538 2.174034 1.043295
H 3.370081 -3.411956 1.701431
H 5.096160 -2.866096 1.618722
H 4.534921 -4.260610 0.630490


