%chk=000102512.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000102512

0 1
 S   -4.241100      0.3848000     -0.9802000    
 S   -5.345500       1.699800      0.2192000    
 O   -6.664800       2.042900     -0.6746000    
 O   -5.778800      0.9603000       1.389000    
 O   -4.569900       2.917700      0.3554000    
 N  -0.6918000      -1.192600      0.1852000    
 C   0.2293000      -2.113500     -0.4840000    
 C    1.660700      -1.923600      5.2600000E-02
 C    2.310400     -0.6220000     -0.4349000    
 C    3.711800     -0.3900000      0.1404000    
 C  -0.2525000      -3.573100     -0.3689000    
 C    4.422000      0.8852000     -0.3244000    
 C    5.788700       1.095400      0.3303000    
 C   -1.847100     -0.9219000     -0.6549000    
 C  -0.2928000      -4.143600       1.043500    
 C    6.489300       2.331400     -0.2358000    
 C   -2.791600      3.7700001E-02  5.7999998E-02
 C    7.863900       2.525200      0.3842000    
 H   0.2709000      -1.877200      -1.556800    
 H    2.286800      -2.763200     -0.2757000    
 H    1.661600      -1.943500       1.149900    
 H    2.374600     -0.6402000      -1.529800    
 H    1.688800      0.2406000     -0.1717000    
 H    3.638700     -0.3697000       1.235300    
 H    4.342200      -1.252600     -0.1107000    
 H   0.4167000      -4.204900     -0.9677000    
 H   -1.243300      -3.689400     -0.8224000    
 H    3.782600       1.750100     -0.1090000    
 H    4.540600      0.8436000      -1.414200    
 H  -0.2288000     -0.3127000      0.4034000    
 H    6.413800      0.2104000      0.1608000    
 H    5.664900       1.201100       1.414700    
 H   -1.524200     -0.4767000      -1.604900    
 H   -2.388600      -1.847000     -0.8807000    
 H  -0.9652000      -3.567600       1.686300    
 H  -0.6557000      -5.176300       1.019200    
 H   0.7012000      -4.152500       1.500300    
 H    6.597600       2.234100      -1.322300    
 H    5.879500       3.222800     -4.8700001E-02
 H   -2.287100      0.9846000      0.2784000    
 H   -3.135000     -0.3927000       1.005000    
 H    7.790000       2.655900       1.468600    
 H    8.509300       1.663900      0.1849000    
 H    8.346000       3.414700     -3.3199999E-02
 H   -7.308600       2.661800     -0.2566000    


%chk=000102512-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000102512

0 1
S -3.657389 0.669550 -1.427770
S -4.019313 2.745550 -0.047482
O -5.663653 2.254983 0.683037
O -2.899741 2.683459 1.131100
O -4.260189 4.162566 -0.798878
N -0.853632 -1.824154 0.332926
C 0.100538 -2.471522 -0.596062
C 1.555313 -2.197687 -0.141685
C 2.012146 -0.733838 -0.339598
C 3.469934 -0.488078 0.110696
C -0.209847 -3.991675 -0.747131
C 3.927508 0.974583 -0.086846
C 5.389257 1.224131 0.348280
C -2.153514 -1.362357 -0.122845
C -0.031901 -4.809249 0.548553
C 5.841499 2.689271 0.152437
C -2.092637 0.151453 -0.564308
C 7.303462 2.932527 0.585507
H -0.026416 -2.016286 -1.606868
H 2.227678 -2.866224 -0.714437
H 1.669348 -2.485727 0.923836
H 1.910777 -0.462996 -1.411564
H 1.342373 -0.044097 0.215731
H 3.576620 -0.764529 1.180688
H 4.146911 -1.163568 -0.453148
H 0.439697 -4.396358 -1.549574
H -1.253661 -4.099994 -1.104596
H 3.255677 1.649202 0.484054
H 3.811697 1.253841 -1.155119
H -0.446839 -1.325605 1.128818
H 6.063985 0.554180 -0.225132
H 5.508760 0.944775 1.416184
H -2.470117 -1.993597 -0.970739
H -2.922695 -1.455967 0.665220
H -0.640124 -4.375319 1.362681
H -0.355965 -5.855043 0.399725
H 1.022011 -4.831860 0.880070
H 5.718940 2.968302 -0.914111
H 5.168153 3.357693 0.726866
H -1.230633 0.347880 -1.224572
H -2.003277 0.782475 0.344183
H 7.445024 2.691849 1.656163
H 8.000022 2.298282 0.004970
H 7.600975 3.986481 0.434399
H -6.147264 3.110200 0.888843


