%chk=000113249.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000113249

0 1
 S    3.338100      -1.486900       1.913400    
 O   -5.514700      -1.804500     -0.4332000    
 O    2.290700      -2.314600       1.336000    
 O    4.399200      -2.100400       2.697600    
 O   -5.167400      -4.019000     -0.9923000    
 O    7.990200       1.044700      -1.453500    
 O    8.159200     -0.2001000      0.3468000    
 N   -4.220600      0.6897000     -0.6328000    
 N    1.365600       1.027400     -0.7923000    
 N    1.871900     -9.8999999E-03 -0.3034000    
 N    7.469100      0.3781000     -0.5271000    
 N   -6.430400       3.628600       2.534800    
 C   -4.953700      0.1254000      -1.748500    
 C   -4.952800       1.178200      0.5186000    
 C   -2.813300      0.7750000     -0.6731000    
 C   -4.938800      -1.391500      -1.666100    
 C   -5.115900       2.693200      0.4567000    
 C   -2.117500      0.3021000      -1.785600    
 C   -2.117400       1.332100      0.3998000    
 C    4.061700     -0.5595000      0.6168000    
 C  -2.9800000E-02  0.9432000     -0.7525000    
 C  -0.7258000      0.3862000      -1.825400    
 C  -0.7256000       1.416100      0.3601000    
 C    3.274100      7.5099997E-02 -0.3438000    
 C    5.451600     -0.4595000      0.5559000    
 C    6.054000      0.2751000     -0.4653000    
 C    3.876500      0.8099000      -1.365100    
 C    2.566000     -0.2642000       2.946900    
 C    5.266400      0.9099000      -1.425900    
 C   -5.850700       3.214800       1.618700    
 C   -5.566700      -3.154800     -0.2236000    
 C   -6.193500      -3.440000       1.107500    
 H   -5.998400      0.4600000      -1.694400    
 H   -4.597200      0.4883000      -2.718900    
 H   -4.505700      0.8467000       1.464400    
 H   -5.955100      0.7275000      0.5377000    
 H   -5.532400      -1.798700      -2.493300    
 H   -3.923900      -1.795200      -1.739300    
 H   -4.149000       3.202700      0.3933000    
 H   -5.657400       2.963300     -0.4586000    
 H   -2.596900     -0.1369000      -2.653200    
 H   -2.596600       1.712900       1.294600    
 H  -0.1916000      1.6799999E-02  -2.697000    
 H  -0.1914000       1.851300       1.200800    
 H    6.061100     -0.9529000       1.307700    
 H    3.305000       1.301400      -2.148500    
 H    2.133900     -0.7783000       3.808500    
 H    3.325100      0.4446000       3.283700    
 H    1.777300      0.2460000       2.394100    
 H    5.701700       1.486400      -2.238300    
 H   -7.215700      -3.053700       1.125800    
 H   -6.226100      -4.521300       1.269300    
 H   -5.596100      -2.986700       1.902500    


%chk=000113249-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000113249

0 1
S 3.806996 -2.085521 -0.840749
O -5.931420 -1.640668 0.556322
O 2.750044 -1.922431 -2.075169
O 5.154516 -2.994412 -1.040795
O -5.634715 -3.720052 1.560948
O 8.279095 2.339964 0.660305
O 8.590959 0.165897 0.031811
N -4.152563 0.442109 -0.657183
N 1.380680 1.387943 0.130834
N 2.192703 0.359041 -0.024046
N 7.837435 1.176434 0.308065
N -7.233705 4.270887 -0.336598
C -4.665560 -0.776685 -1.317418
C -5.157598 1.409531 -0.184098
C -2.786088 0.653698 -0.467143
C -4.822137 -1.978880 -0.377465
C -5.405960 2.549299 -1.226875
C -1.817316 -0.337126 -0.861352
C -2.294402 1.874032 0.111872
C 4.471102 -0.387167 -0.228897
C 0.023587 1.080607 -0.076405
C -0.451181 -0.132018 -0.671688
C -0.923254 2.080017 0.289438
C 3.572719 0.669013 0.074961
C 5.859447 -0.262182 -0.173847
C 6.370190 0.994471 0.220853
C 4.131901 1.924755 0.460667
C 2.862544 -2.782489 0.666609
C 5.522564 2.085681 0.534906
C -6.412980 3.509992 -0.750480
C -6.245640 -2.632824 1.509389
C -7.381029 -2.176441 2.395280
H -5.653476 -0.544015 -1.753247
H -4.008279 -1.060539 -2.158814
H -4.847815 1.845226 0.781170
H -6.097641 0.866326 0.002180
H -5.089946 -2.891962 -0.940925
H -3.907312 -2.182060 0.205839
H -4.461789 3.084333 -1.438172
H -5.749162 2.111143 -2.183018
H -2.138833 -1.271612 -1.328371
H -2.983743 2.666237 0.414425
H 0.281217 -0.875971 -1.005150
H -0.550393 3.014931 0.720446
H 6.515217 -1.101268 -0.431746
H 3.446464 2.744419 0.693028
H 2.507736 -3.770879 0.341929
H 3.587948 -2.853209 1.488755
H 2.049945 -2.070417 0.860985
H 5.976563 3.035316 0.830632
H -8.278862 -1.964904 1.789017
H -7.609634 -2.958708 3.132707
H -7.108841 -1.242763 2.917280


