%chk=000123932.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000123932

0 1
 S    3.057900      0.3927000     -0.5072000    
 O    2.167900     -3.7400000E-02  0.8062000    
 O   0.8235000      -2.331000     -3.1000001E-03
 O    4.599800      0.1400000     -3.4400001E-02
 O    2.768800     -0.5237000      -1.594800    
 O    2.893200       1.821700     -0.7011000    
 N   -5.407100      0.4140000      -1.052200    
 C   -3.461100     -2.9600000E-02  0.4082000    
 C   -1.973600     -3.4800000E-02  0.5124000    
 C   -3.949900      0.3924000     -0.9834000    
 C   -1.257000      -1.191100      0.2038000    
 C   -1.298700       1.116400      0.9188000    
 C   0.1345000      -1.196100      0.3017000    
 C   0.8092000     -4.4799998E-02  0.7081000    
 C   9.2600003E-02   1.111400       1.016800    
 H   -3.850300      -1.026600      0.6550000    
 H   -3.878000      0.6423000       1.170700    
 H   -3.568700     -0.2959000      -1.746500    
 H   -3.570000       1.389000      -1.235800    
 H   -1.777000      -2.091100     -0.1155000    
 H   -1.845400       2.024100       1.160600    
 H   0.6111000       2.011500       1.335600    
 H   -5.772000       1.050100     -0.3439000    
 H   -5.772800     -0.5073000     -0.8140000    
 H    1.770900      -2.165100      0.1421000    
 H    4.830800      0.4953000      0.8558000    


%chk=000123932-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000123932

0 1
S 4.319912 0.244233 -0.068246
O 1.773054 1.780124 -0.220002
O 1.063130 -0.520998 -1.687448
O 3.132282 -0.592893 1.136439
O 3.752450 -0.550993 -1.590730
O 5.749732 -0.453253 0.146854
N -5.770440 -0.222572 -0.172482
C -3.331663 -0.598267 0.530069
C -1.940371 -0.064049 0.332910
C -4.400528 0.235354 -0.313404
C -1.078179 -0.591348 -0.615943
C -1.531215 1.109503 1.129802
C 0.244305 -0.027569 -0.839491
C 0.656658 1.219652 -0.012142
C -0.308103 1.715049 0.985037
H -3.404307 -1.651718 0.205574
H -3.634854 -0.543621 1.592603
H -4.101304 0.181462 -1.376142
H -4.343935 1.297436 -0.014307
H -1.350103 -1.470568 -1.210374
H -2.245045 1.490220 1.871603
H -0.002550 2.576077 1.588330
H -6.267570 0.010734 0.687119
H -6.009788 -1.130973 -0.570801
H 2.746085 -0.381516 -1.696923
H 3.460949 -1.533107 1.245996


