%chk=000102831.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000102831

0 1
 S    4.800100     -0.3157000     -6.1099999E-02
 O   -1.297700       2.570000      9.9900000E-02
 O    5.289700      0.3416000       1.353500    
 O   -5.347400     -0.5451000     -0.8122000    
 O    5.125100      -1.733500     -5.2000000E-03
 O    5.300700      0.5178000      -1.143300    
 O   -4.429000      -2.364400      0.2255000    
 N   -1.107700      0.2110000     -6.4400002E-02
 N   -1.964000     -0.8684000     -0.1404000    
 N   -3.850700       1.473600       1.242700    
 C   -3.239300       1.098000     -1.7300000E-02
 C   -1.773400       1.450000      1.1900000E-02
 C   0.2726000      8.8000000E-02 -6.3400000E-02
 C   -3.160600     -0.3832000     -0.1157000    
 C    1.073600       1.104300     -0.5972000    
 C   0.8806000      -1.053900      0.4715000    
 C    3.061200     -0.1604000     -6.1600000E-02
 C    2.463000      0.9806000     -0.5965000    
 C    2.269900      -1.177500      0.4725000    
 C   -4.366900      -1.232700     -0.1996000    
 H   -3.721800       1.544400     -0.8896000    
 H   0.6547000       1.989400      -1.065400    
 H   0.2856000      -1.856400      0.9008000    
 H    3.058600       1.784400      -1.020000    
 H    2.714500      -2.070900      0.9020000    
 H   -3.390000       1.002300       2.020500    
 H   -4.824300       1.173000       1.260600    
 H    4.953800     -0.1051000       2.165900    
 H   -6.172800      -1.069100     -0.8918000    


%chk=000102831-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000102831

0 1
S 4.888710 -0.422648 -0.013937
O -1.452953 2.682406 -0.461258
O 5.084576 -0.181676 1.820714
O -5.530154 -0.802452 -0.073117
O 5.258078 -1.956683 -0.371398
O 5.623459 0.801948 -0.774237
O -4.177248 -2.654450 0.372188
N -1.127832 0.331785 -0.132141
N -1.932408 -0.818287 0.057393
N -4.142133 1.803994 0.785581
C -3.382604 1.068564 -0.215575
C -1.900520 1.529503 -0.294429
C 0.290530 0.171047 -0.100431
C -3.200386 -0.435914 -0.004992
C 1.143343 1.296484 -0.262801
C 0.826829 -1.131648 0.085939
C 3.038591 -0.181724 -0.036052
C 2.540086 1.115572 -0.226404
C 2.221025 -1.312583 0.122918
C -4.284110 -1.434331 0.131880
H -3.844955 1.249979 -1.204483
H 0.720491 2.291618 -0.409814
H 0.150073 -1.980086 0.202745
H 3.220121 1.962535 -0.358270
H 2.659907 -2.306046 0.255369
H -3.782089 1.774053 1.741434
H -5.154929 1.696979 0.712128
H 6.057656 -0.283121 2.035579
H -6.253052 -1.482718 -0.001929


