%chk=000126909.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000126909

0 1
 S    1.003000      -1.579400      0.8060000    
 O    4.411000     -0.2686000      0.1468000    
 N    2.477900      0.9457000     -0.1188000    
 N   -3.509500      0.2933000      0.8990000    
 C    1.049000      0.9867000     -0.4183000    
 C   0.2624000      0.1016000      0.5786000    
 C   -1.212300     -3.7599999E-02  0.2456000    
 C   0.5668000       2.439400     -0.3926000    
 C    2.399300      -1.474400     -0.3408000    
 C    3.200500     -0.2285000     -6.7599997E-02
 C   -1.617900     -0.5974000     -0.9564000    
 C   -2.181500      0.3891000       1.133200    
 C   -2.975600     -0.7130000      -1.233400    
 C   -3.872900     -0.2569000     -0.2813000    
 H   0.9347000      0.6131000      -1.443600    
 H   0.3525000      0.5606000       1.572300    
 H    2.976200       1.818500      2.8600000E-02
 H  -0.4820000       2.521200     -0.6935000    
 H   0.6732000       2.874300      0.6074000    
 H    1.157500       3.053800      -1.081400    
 H    2.051500      -1.482800      -1.378100    
 H    3.037700      -2.350500     -0.1920000    
 H  -0.8980000     -0.9492000      -1.689600    
 H   -1.923500      0.8354000       2.088300    
 H   -3.320600      -1.146600      -2.165000    
 H   -4.942800     -0.3244000     -0.4492000    


%chk=000126909-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000126909

0 1
S 1.024135 -1.770994 0.569322
O 4.534417 -0.080473 0.260587
N 2.475608 0.960047 -0.056410
N -3.520065 0.532927 0.858906
C 1.042910 0.928426 -0.410764
C 0.255963 -0.005730 0.567097
C -1.220992 -0.088605 0.237510
C 0.494762 2.368911 -0.390791
C 2.615613 -1.450880 -0.427431
C 3.306677 -0.148708 -0.038880
C -1.707074 -0.717280 -0.937783
C -2.175986 0.511985 1.098762
C -3.091367 -0.700598 -1.207491
C -3.959031 -0.065191 -0.287187
H 0.920962 0.519159 -1.435851
H 0.394288 0.384276 1.591729
H 2.898488 1.852600 0.212382
H -0.561332 2.391141 -0.702440
H 0.560588 2.804267 0.623903
H 1.070385 3.006540 -1.085831
H 2.374446 -1.463804 -1.504566
H 3.288273 -2.287490 -0.191465
H -1.012610 -1.237172 -1.606801
H -1.852938 0.997023 2.028952
H -3.498351 -1.179471 -2.103640
H -5.041169 -0.037505 -0.457622


