%chk=000102510.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000102510

0 1
 S   -3.410100      3.6400001E-02   1.007500    
 S   -4.817800     -0.9194000     -0.2142000    
 O   -6.161900     -0.9899000      0.7054000    
 O   -5.089100     -3.9000001E-02  -1.334400    
 O   -4.353900      -2.276100     -0.4310000    
 N   0.3858000      0.7973000     -0.1993000    
 C    1.511500       1.441100      0.4807000    
 C    2.846400      0.9500000     -0.1091000    
 C    3.222100     -0.4618000      0.3588000    
 C    1.384200       2.976800      0.4478000    
 C    4.564900     -0.9013000     -0.2291000    
 C  -0.7830000      0.7614000      0.6646000    
 C    4.921300      -2.324000      0.2013000    
 C    1.450900       3.613000     -0.9351000    
 C   -1.941700      8.8000000E-02 -6.0300000E-02
 C    6.270300      -2.752500     -0.3535000    
 H    1.516800       1.148900       1.540400    
 H    3.647900       1.634600      0.1978000    
 H    2.814900      0.9808000      -1.205900    
 H    2.448400      -1.178500      6.1600000E-02
 H    3.278800     -0.4836000       1.453800    
 H   0.4579000       3.298200      0.9372000    
 H    2.194900       3.402700       1.053500    
 H    4.522300     -0.8507000      -1.324000    
 H    5.351300     -0.2093000      9.6100003E-02
 H   0.6285000     -0.1557000     -0.4652000    
 H  -0.5544000      0.2045000       1.582500    
 H   -1.086900       1.774500      0.9496000    
 H    4.150600      -3.022300     -0.1453000    
 H    4.947500      -2.386500       1.295500    
 H    2.407400       3.407700      -1.424500    
 H   0.6459000       3.248000      -1.580000    
 H    1.347100       4.699800     -0.8521000    
 H   -1.678900     -0.9380000     -0.3400000    
 H   -2.193700      0.6354000     -0.9750000    
 H    7.068500      -2.093500      2.7000001E-03
 H    6.504600      -3.772900     -3.4400001E-02
 H    6.269100      -2.730700      -1.447900    
 H   -6.942000      -1.418000      0.2805000    


%chk=000102510-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000102510

0 1
S -3.233123 -1.110220 1.437930
S -4.673501 -0.698760 -0.563267
O -5.321682 0.972326 -0.050201
O -3.656321 -0.481688 -1.814567
O -5.962389 -1.656635 -0.772658
N 0.362672 0.476529 0.179309
C 1.437440 1.346454 0.705119
C 2.781159 0.971629 0.032211
C 3.304408 -0.423480 0.439438
C 1.107402 2.870765 0.588582
C 4.589366 -0.836380 -0.312498
C -0.941758 0.445609 0.841192
C 5.136156 -2.212448 0.131722
C 0.954111 3.388901 -0.858103
C -1.628589 -0.898166 0.508791
C 6.408563 -2.632998 -0.635007
H 1.521559 1.116072 1.789191
H 3.533146 1.742358 0.295145
H 2.667593 1.015942 -1.071705
H 2.508318 -1.173259 0.260537
H 3.501679 -0.432640 1.532184
H 0.174067 3.073592 1.150868
H 1.911769 3.433270 1.103700
H 4.385817 -0.859983 -1.403942
H 5.374691 -0.065995 -0.160425
H 0.326521 0.417430 -0.845549
H -0.774671 0.526122 1.932257
H -1.628166 1.274299 0.555179
H 4.347163 -2.979285 -0.008538
H 5.351015 -2.184034 1.219632
H 1.890690 3.278256 -1.433627
H 0.153742 2.850282 -1.400180
H 0.686023 4.460601 -0.860585
H -0.980875 -1.762697 0.742786
H -1.880418 -0.935829 -0.573021
H 7.220914 -1.895726 -0.490192
H 6.780884 -3.616534 -0.294094
H 6.211433 -2.704653 -1.721389
H -6.200405 1.096372 -0.519221


