%chk=000068844.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000068844

0 1
 S   0.3779000       1.915600      0.2123000    
 S   -2.429900       1.298100     -0.5663000    
 S   -4.838200     -0.3542000     -0.7189000    
 O   3.1000001E-03   2.900600       1.206800    
 O   0.6748000       2.272900      -1.159100    
 O    4.996300      0.2262000      -1.696500    
 O   -4.983900      0.5548000      -1.850100    
 O   -5.057300      -1.785500     -0.8849000    
 N    1.626400      0.8905000      0.8366000    
 N   0.8178000      -1.994400      0.4003000    
 N   -5.863400      0.2080000      0.5397000    
 C   0.1690000      -1.098600       1.361400    
 C    1.183100     -6.5300003E-02   1.914000    
 C   -1.019500     -0.4696000      0.6789000    
 C  -0.9828000      0.8035000      0.1521000    
 C    2.915300       1.552300       1.147600    
 C   -2.308000      -1.054300      0.4741000    
 C    3.824400       1.541800     -7.3600002E-02
 C   -3.167900     -0.2049000     -0.1928000    
 C    1.983200      -2.628500      0.9953000    
 C    4.132500      0.1345000     -0.5713000    
 C    2.645100      -3.586600      1.9600000E-02
 C    5.302000      -1.057000      -2.225100    
 H  -0.2050000      -1.688900       2.209100    
 H    2.030400     -0.5238000       2.429000    
 H   0.6891000      0.5330000       2.693700    
 H    3.425500       1.051000       1.977700    
 H    2.740200       2.582300       1.477900    
 H   0.1586000      -2.713000      0.1006000    
 H   -2.587900      -2.048500      0.7987000    
 H    3.380400       2.122600     -0.8909000    
 H    4.764800       2.052000      0.1693000    
 H    1.708800      -3.179200       1.902600    
 H    2.765700      -1.910800       1.250300    
 H    3.211500     -0.3749000     -0.8738000    
 H    4.620800     -0.4469000      0.2192000    
 H    1.961700      -4.393000     -0.2670000    
 H    2.963300      -3.068900     -0.8913000    
 H    3.530300      -4.042100      0.4754000    
 H   -5.835000       1.216000      0.7402000    
 H   -5.897000     -0.3620000       1.394700    
 H    5.980600     -0.9275000      -3.072500    
 H    4.392600      -1.551700      -2.579400    
 H    5.798600      -1.675500      -1.471000    


%chk=000068844-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000068844

0 1
S 0.814183 1.727670 -0.017168
S -2.131761 0.873168 -0.800913
S -4.556865 -1.135882 -0.284303
O 0.577382 3.081206 0.865828
O 1.140390 1.865751 -1.601692
O 5.319625 1.290412 -2.123755
O -4.757463 -1.389217 -1.873367
O -4.817583 -2.310242 0.814938
N 2.116766 0.571560 0.868017
N 1.158452 -2.147758 1.369431
N -5.533596 0.372373 0.061769
C 0.455376 -0.977016 1.925676
C 1.484972 0.143523 2.168871
C -0.709707 -0.479619 1.055536
C -0.645288 0.586551 0.170990
C 3.357786 1.390836 1.115545
C -2.004788 -1.118316 0.989346
C 4.063728 1.870352 -0.163324
C -2.845520 -0.516415 0.073911
C 0.403739 -3.409130 1.213328
C 4.330038 0.755832 -1.182012
C 1.351613 -4.554133 0.817171
C 5.520039 0.415092 -3.275232
H 0.036153 -1.270346 2.908959
H 2.304208 -0.278410 2.778191
H 1.041143 1.000157 2.720894
H 4.023038 0.696114 1.667644
H 3.143285 2.254512 1.782779
H 1.705342 -1.887148 0.536377
H -2.308966 -1.973029 1.598706
H 3.499385 2.682300 -0.655171
H 5.038779 2.298448 0.138459
H -0.416960 -3.339499 0.460653
H -0.073433 -3.640340 2.187300
H 3.395612 0.482536 -1.714431
H 4.733586 -0.155765 -0.682036
H 1.837841 -4.348852 -0.155398
H 2.142274 -4.683596 1.576203
H 0.794284 -5.502667 0.718796
H -6.336292 0.392356 -0.588266
H -5.800338 0.412666 1.058612
H 6.261990 0.914051 -3.918561
H 4.576669 0.271598 -3.843906
H 5.908883 -0.581587 -2.971789


