%chk=000060693.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000060693

0 1
 S  -0.1644000      -2.636900     -0.2847000    
 S    2.299400      -1.011400     -0.5438000    
 S    3.986100       1.354000     -0.2180000    
 O  -0.1463000      -2.873400      -1.712300    
 O   0.4048000      -3.556000      0.6776000    
 O    4.579400      0.6773000      -1.365800    
 O    3.713800       2.785200     -0.2606000    
 N   -1.965800      0.9342000      0.1428000    
 N    4.975900       1.031800       1.148600    
 C   -1.178900      0.1596000       1.103800    
 C   -1.825700      -1.214600       1.402000    
 C   0.2199000      3.1700000E-02  0.5691000    
 C   -1.822400      -2.194100      0.2227000    
 C   0.6864000      -1.117300     -3.2900002E-02
 C   -3.336900       1.082900      0.6031000    
 C    1.242700       1.031100      0.6057000    
 C   -4.219100       1.831600     -0.4106000    
 C    2.419500      0.5980000      3.1300001E-02
 C   -4.206100       1.092700      -1.751600    
 C   -5.662400       1.993500      7.3500000E-02
 H   -1.125100      0.7151000       2.050500    
 H   -2.828900      -1.137100       1.828900    
 H   -1.238200      -1.677200       2.209700    
 H   -2.325800      -3.126800      0.4955000    
 H   -2.333900      -1.767500     -0.6455000    
 H   -1.550700       1.857100      1.4900000E-02
 H   -3.358700       1.619000       1.560100    
 H   -3.833300      0.1205000      0.7487000    
 H    1.118000       2.018700       1.031900    
 H   -3.803700       2.835700     -0.5674000    
 H   -4.559700      6.1400000E-02  -1.643100    
 H   -4.858700       1.595300      -2.474000    
 H   -3.203700       1.065500      -2.190800    
 H   -6.142100       1.020700      0.2253000    
 H   -6.257200       2.556700     -0.6532000    
 H   -5.690500       2.537000       1.023700    
 H    4.702000       1.482200       2.031200    
 H    5.274000      5.6800000E-02   1.280900    


%chk=000060693-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000060693

0 1
S -0.005507 -3.010596 -0.256295
S 2.503512 -1.042171 -0.471439
S 3.675306 1.870014 0.127826
O 0.222502 -3.466508 -1.805145
O 0.463950 -3.989708 0.965916
O 4.245853 2.023789 -1.382167
O 3.104710 3.147158 0.964867
N -2.081535 0.530969 0.055337
N 4.998810 0.982399 1.024745
C -1.277420 -0.194309 1.074213
C -1.874738 -1.607472 1.326219
C 0.172958 -0.245856 0.615797
C -1.844662 -2.481639 0.074447
C 0.795689 -1.325974 0.002461
C -3.284142 1.234500 0.558683
C 1.069847 0.881379 0.719073
C -4.092574 1.878724 -0.594258
C 2.318540 0.610487 0.195499
C -4.676864 0.809941 -1.545752
C -5.204223 2.787049 -0.019181
H -1.294319 0.347609 2.050776
H -2.931718 -1.496917 1.633612
H -1.348477 -2.111279 2.160275
H -2.356545 -3.450459 0.182672
H -2.142341 -1.940584 -0.837046
H -1.505158 1.133968 -0.546584
H -3.022334 2.021464 1.309090
H -3.931580 0.500666 1.079800
H 0.811182 1.845056 1.166430
H -3.393722 2.519025 -1.176638
H -5.431376 0.193704 -1.018855
H -5.173906 1.281769 -2.412955
H -3.885074 0.137839 -1.919951
H -5.917306 2.197786 0.589070
H -5.777042 3.267833 -0.832437
H -4.787576 3.586421 0.621842
H 4.935069 1.160084 2.039920
H 5.905911 1.246842 0.607338


