%chk=000024766.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000024766

0 1
 S   -4.774500      -2.158600     -0.3803000    
 O   0.6945000      0.9157000      0.5600000    
 O    1.843500      -1.100800      0.3226000    
 O   -3.411100      0.5106000      0.1076000    
 O   -1.345600     -0.4515000       1.802300    
 O   -3.269300      -1.830500      0.1622000    
 O    2.946200       2.296000     -0.4448000    
 O    5.455900      0.8346000      4.3400001E-02
 O   -3.727400       2.817900     -2.5900001E-02
 O    5.199100      -1.906200     -0.8896000    
 O    3.644500      -4.040900     -0.3402000    
 O    1.995600      -3.514000       1.143000    
 O   0.4650000       3.854200       1.264700    
 O   -5.193700      -3.503600      0.4421000    
 O   -5.642100      -1.084800      6.6799998E-02
 O   -4.704600      -2.500500      -1.788900    
 N  -0.8759000       3.156200     -0.5051000    
 C  -0.5524000      0.7638000     -0.1133000    
 C   -1.445700       1.987300      0.1294000    
 C   -1.227200     -0.5171000      0.3782000    
 C    1.745000      0.2453000     -0.1356000    
 C    3.047400      0.9974000      0.1392000    
 C    4.247400      0.2641000     -0.4608000    
 C   -2.870500       1.736000     -0.3924000    
 C   -2.621100     -0.6280000     -0.2399000    
 C    4.235300      -1.219900     -9.2699997E-02
 C    2.863100      -1.829300     -0.3515000    
 C    2.762500      -3.195100      0.2466000    
 C   3.2600001E-02   3.988400      0.1229000    
 C   0.4837000       5.113000     -0.7701000    
 H  -0.4011000      0.6905000      -1.199700    
 H   -1.480900       2.190100       1.208100    
 H  -0.6439000      -1.413600      0.1489000    
 H    1.561000      0.2548000      -1.218700    
 H    3.185800       1.139800       1.218100    
 H    4.270900      0.4018000      -1.549100    
 H   -2.881700       1.691300      -1.488300    
 H   -2.528000     -0.6677000      -1.333200    
 H    4.532200      -1.346100      0.9558000    
 H    2.619100      -1.905800      -1.418400    
 H   -1.109300       3.331000      -1.478600    
 H  -0.4475000     -0.3545000       2.162800    
 H    3.787900       2.754600     -0.2807000    
 H    6.196500      0.3415000     -0.3493000    
 H   -3.473000       3.116900      0.8630000    
 H    4.947400      -1.802400      -1.823100    
 H    1.136800       4.717400      -1.552700    
 H  -0.3799000       5.603300      -1.228600    
 H    1.034200       5.852200     -0.1816000    
 H    3.595100      -4.943700      4.0399998E-02
 H   -4.515700      -4.219400      0.4530000    


%chk=000024766-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000024766

0 1
S -5.444288 -1.801513 -0.361167
O 0.655409 0.473321 0.454521
O 2.057678 -1.377998 0.270743
O -3.527823 0.824946 0.174922
O -1.505070 -0.634335 1.868293
O -3.793196 -1.476587 0.548189
O 2.526546 2.121303 -0.919346
O 5.234902 1.214797 -0.727553
O -3.416139 3.104739 -0.449650
O 5.590931 -1.607132 -1.081913
O 4.653970 -3.897237 0.052002
O 2.493459 -4.015808 0.907679
O -1.660543 4.599509 0.797976
O -5.408308 -3.507805 0.268782
O -6.718521 -1.068486 0.254442
O -5.145153 -1.774605 -1.939606
N -0.396646 2.945179 -0.239002
C -0.689237 0.499294 -0.163576
C -1.324234 1.865385 0.153371
C -1.527981 -0.669140 0.419402
C 1.722936 -0.064423 -0.320786
C 2.920713 0.890424 -0.220677
C 4.143165 0.258557 -0.891000
C -2.728652 1.895211 -0.542982
C -2.978566 -0.487310 -0.100431
C 4.475279 -1.113962 -0.281880
C 3.205409 -2.016189 -0.389754
C 3.350589 -3.387163 0.274934
C -0.581134 4.232766 0.212522
C 0.556293 5.210636 -0.023731
H -0.586043 0.379376 -1.264216
H -1.530272 1.929074 1.241644
H -1.128235 -1.632224 0.036184
H 1.428405 -0.198412 -1.387880
H 3.137515 1.097430 0.845721
H 3.935084 0.100370 -1.973603
H -2.665278 1.598090 -1.614996
H -2.964042 -0.663605 -1.206380
H 4.754401 -1.002616 0.786881
H 3.003278 -2.185153 -1.473895
H 0.548785 2.677673 -0.556111
H -0.549842 -0.624087 2.142247
H 3.348519 2.661951 -1.051811
H 6.058169 0.808438 -1.102802
H -2.982723 3.711750 0.243882
H 5.805412 -2.529651 -0.776285
H 0.820695 5.689387 0.934202
H 1.451441 4.730520 -0.451972
H 0.212755 6.009574 -0.703535
H 4.736007 -4.802893 0.456674
H -4.569719 -3.559665 0.819325


