%chk=000144891.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000144891

0 1
 S    2.827200       1.969600     -0.6775000    
 O   -1.553300      -2.015000     -0.2184000    
 O    3.086900      -1.017300     -6.7800000E-02
 N   -4.051900       2.038100      0.1655000    
 C   -2.242800      0.6941000     -0.8066000    
 C   -2.928100       1.155500      0.4926000    
 C  -0.8189000      0.2328000     -0.6082000    
 C  -0.5515000      -1.097800     -0.3248000    
 C   0.2032000       1.163900     -0.7158000    
 C   -3.460200     -1.3500000E-02   1.321700    
 C    1.524400      0.7540000     -0.5356000    
 C   0.7695000      -1.507500     -0.1447000    
 C    1.807400     -0.5817000     -0.2499000    
 C   -1.173800      -3.357900      7.5800002E-02
 C    2.961800       2.560100       1.032400    
 C    3.600300     -0.9777000       1.261500    
 H   -2.219600       1.523700      -1.528400    
 H   -2.834200     -8.4700003E-02  -1.306500    
 H   -2.223400       1.729800       1.106400    
 H  -2.6900001E-02   2.203900     -0.9353000    
 H   -2.640900     -0.6200000       1.718400    
 H   -4.118400     -0.6619000      0.7330000    
 H   -4.030200      0.3460000       2.186600    
 H    1.056900      -2.529800      7.8199998E-02
 H   -3.709200       2.859600     -0.3311000    
 H   -4.480300       2.382000       1.024100    
 H  -0.5622000      -3.789600     -0.7237000    
 H   -2.094700      -3.948500      0.1243000    
 H  -0.6954000      -3.436500       1.058000    
 H    3.242800       1.754400       1.711600    
 H    2.010100       2.988200       1.358900    
 H    3.728000       3.338400       1.082000    
 H    2.865300     -0.6171000       1.989500    
 H    4.483000     -0.3327000       1.281200    
 H    3.904400      -1.989800       1.543700    


%chk=000144891-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000144891

0 1
S 2.930540 1.824692 -0.427484
O -1.707749 -2.107077 -0.404004
O 3.054034 -1.425226 0.169331
N -4.200454 1.925807 -0.008766
C -2.258611 0.653400 -0.820540
C -2.910839 1.340656 0.417689
C -0.857834 0.131790 -0.556430
C -0.593664 -1.255036 -0.343006
C 0.248620 1.004296 -0.522503
C -3.167217 0.349067 1.568712
C 1.578086 0.576903 -0.270762
C 0.716349 -1.711775 -0.085209
C 1.806345 -0.806187 -0.037067
C -1.475731 -3.544833 -0.248768
C 2.802157 2.674460 1.262079
C 3.967033 -0.874150 1.187852
H -2.218395 1.400319 -1.640097
H -2.927370 -0.160548 -1.145718
H -2.187262 2.112929 0.785076
H 0.083651 2.066847 -0.739009
H -2.223449 -0.114086 1.904531
H -3.851077 -0.448507 1.230086
H -3.625092 0.862109 2.436937
H 0.944739 -2.766283 0.088554
H -4.126927 2.600023 -0.777855
H -4.778958 2.276808 0.761052
H -0.790905 -3.927529 -1.029964
H -2.466516 -4.009048 -0.361001
H -1.064050 -3.780246 0.751873
H 3.097579 1.979263 2.063843
H 1.771350 3.025130 1.421756
H 3.491183 3.533717 1.232075
H 3.430741 -0.707333 2.142712
H 4.429369 0.065559 0.840541
H 4.735624 -1.650812 1.324583


