%chk=000103261.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000103261

0 1
 S   -2.439000       2.749600     -4.4399999E-02
 S   -6.232400      -1.072600      0.2179000    
 O   -1.983000       3.096900      -1.572400    
 O   -6.480000      -1.238500       1.825500    
 O   -3.675100       3.467600      0.2106000    
 O   -1.287100       2.906700      0.8246000    
 O   -7.028400      6.5200001E-02 -0.2189000    
 O   -6.401500      -2.377700     -0.4020000    
 O    6.955000      -1.551900     -2.9999999E-02
 N    1.834800     -0.2964000     -0.6172000    
 N    2.374000     -0.2368000      0.5127000    
 N    7.776500       1.139200     -1.6100001E-02
 C   -1.836400      3.8800001E-02 -0.2101000    
 C   -2.226300      -1.321600     -0.2199000    
 C   -2.817500       1.033400     -6.6900000E-02
 C   -4.547100     -0.6462000      5.5100001E-02
 C   -3.585800      -1.647400     -8.6199999E-02
 C   -4.163700      0.6917000      6.4800002E-02
 C  -0.4769000      0.3646000     -0.3439000    
 C   -1.245200      -2.316200     -0.3634000    
 C   0.4845000     -0.6365000     -0.4852000    
 C   0.1010000      -1.974500     -0.4950000    
 C    3.730700      0.1047000      0.3797000    
 C    4.684900     -0.8982000      0.2390000    
 C    6.031400     -0.5590000      0.1069000    
 C    6.417000      0.7815000      0.1161000    
 C    4.109800       1.443500      0.3897000    
 C    5.456200       1.782700      0.2576000    
 C    6.469400      -2.892600     -2.8500000E-02
 H   -3.882900      -2.694200     -8.5900001E-02
 H   -4.927100       1.454400      0.1810000    
 H  -0.1123000       1.383500     -0.3948000    
 H   -1.521800      -3.368400     -0.3739000    
 H   0.8428000      -2.761300     -0.6055000    
 H   -2.670900       2.950000      -2.263400    
 H   -6.327600     -0.4257000       2.362700    
 H    4.319300      -1.919600      0.2411000    
 H    3.367600       2.229700      0.5001000    
 H    5.743400       2.831200      0.2667000    
 H    8.478100      0.4182000     -0.1203000    
 H    8.048300       2.113300     -9.8000001E-03
 H    5.809100      -3.084800     -0.8812000    
 H    6.004800      -3.153600      0.9285000    
 H    7.338000      -3.549000     -0.1473000    


%chk=000103261-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000103261

0 1
S -1.665258 0.890458 2.478986
S -6.486104 -0.410183 0.051909
O -1.161084 2.473455 1.645107
O -6.587520 -2.013219 0.986598
O -2.773414 1.206434 3.613139
O -0.317513 0.094268 2.890641
O -7.041407 0.767017 1.011872
O -7.086737 -0.624165 -1.434358
O 6.754321 0.374935 1.392577
N 1.664880 -0.744175 -1.683630
N 2.367692 -0.380741 -0.626749
N 7.983015 -0.175124 -0.892883
C -1.788956 -0.283833 -0.176925
C -2.588313 -0.798298 -1.287406
C -2.533818 0.178364 0.961717
C -4.623041 -0.368376 -0.033418
C -4.010944 -0.835802 -1.188589
C -3.916334 0.155605 1.076679
C -0.372050 -0.260771 -0.286118
C -1.918095 -1.259171 -2.468744
C 0.254734 -0.726464 -1.460876
C -0.532193 -1.220849 -2.556144
C 3.763834 -0.360630 -0.799324
C 4.507946 -0.007712 0.370244
C 5.901825 0.047193 0.322927
C 6.606292 -0.245554 -0.897616
C 4.454544 -0.655145 -2.014617
C 5.851001 -0.595361 -2.057704
C 6.126385 0.678073 2.682570
H -4.616818 -1.217282 -2.018048
H -4.427756 0.535025 1.968564
H 0.257700 0.102035 0.529959
H -2.519421 -1.640429 -3.301070
H -0.000924 -1.564953 -3.448702
H -0.628924 3.005262 2.306283
H -7.537964 -2.132464 1.279736
H 3.941011 0.205606 1.280755
H 3.868393 -0.923336 -2.897982
H 6.386322 -0.818077 -2.988321
H 8.457024 0.078999 -0.027895
H 8.526223 -0.374284 -1.728218
H 5.550164 -0.189879 3.054853
H 5.462146 1.559208 2.600670
H 6.957737 0.898042 3.367651


