%chk=000071248.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000071248

0 1
 S   -3.148600     -0.9624000     -0.4053000    
 O   -3.450900     -0.4339000      -1.725300    
 O   -3.247700      -2.390200     -0.1478000    
 O    1.544300      -2.293100      0.9608000    
 O   0.9861000       1.409300      -1.768100    
 N   0.8730000     -0.5808000     -0.5104000    
 N   -4.086300     -0.1426000      0.7659000    
 C   -1.521700     -0.4435000      4.3499999E-02
 C  -0.4574000      -1.039200     -0.8580000    
 C   -4.454000       1.265100      0.5302000    
 C    1.714800      -1.254900      0.3492000    
 C    1.436500      0.5775000      -1.002600    
 C    2.940000     -0.4587000      0.4073000    
 C    2.771700      0.6494000     -0.4099000    
 C   -3.868700       2.125600       1.640500    
 C   -5.970500       1.375100      0.4722000    
 C    4.105800     -0.6754000       1.112600    
 C    3.760500       1.599100     -0.5650000    
 C    5.122100      0.2736000      0.9704000    
 C    4.951000       1.400000      0.1399000    
 H   -1.495800      0.6494000     -1.5000000E-02
 H   -1.353100     -0.7387000       1.084500    
 H  -0.4790000      -2.132900     -0.7928000    
 H  -0.6526000     -0.7621000      -1.900400    
 H   -4.048400       1.618800     -0.4233000    
 H   -4.143200     -0.4988000       1.727500    
 H   -4.119000       3.180800       1.489000    
 H   -4.249800       1.824300       2.622700    
 H   -2.777500       2.038000       1.670500    
 H   -6.373800      0.7561000     -0.3368000    
 H   -6.281100       2.409800      0.2943000    
 H   -6.431500       1.036800       1.407000    
 H    4.237400      -1.540700       1.751500    
 H    3.629300       2.465100      -1.203000    
 H    6.058300      0.1438000       1.507100    
 H    5.757800       2.122600      4.8000000E-02


%chk=000071248-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000071248

0 1
S -3.051157 -0.660170 0.116324
O -3.330366 -0.237157 -1.437657
O -3.349692 -2.172416 0.648937
O 1.814550 -2.668243 0.418516
O 0.999717 1.716527 -1.098009
N 1.074641 -0.553082 -0.390305
N -3.896758 0.573014 1.275530
C -1.208096 -0.244024 0.481038
C -0.336767 -0.887973 -0.610873
C -4.846579 1.503466 0.571112
C 2.051283 -1.478697 0.101346
C 1.642820 0.727781 -0.667000
C 3.339497 -0.715541 0.132287
C 3.096044 0.602053 -0.329002
C -5.107474 2.667651 1.553412
C -6.149642 0.819183 0.102168
C 4.620990 -1.128154 0.526255
C 4.126060 1.550695 -0.411607
C 5.670150 -0.175340 0.446753
C 5.426595 1.143140 -0.015094
H -1.176788 0.854797 0.461433
H -1.036486 -0.647306 1.490353
H -0.423404 -1.988484 -0.586146
H -0.650415 -0.516389 -1.602103
H -4.303893 1.887300 -0.312689
H -4.400323 -0.051403 1.941699
H -5.740776 3.430629 1.065387
H -5.636116 2.314503 2.458497
H -4.159646 3.137431 1.864617
H -5.932035 0.018557 -0.625820
H -6.814824 1.552846 -0.388204
H -6.698078 0.385358 0.960991
H 4.797383 -2.148680 0.879921
H 3.926704 2.565142 -0.770553
H 6.684373 -0.460557 0.745600
H 6.256507 1.855842 -0.066216


