%chk=000081286.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000081286

0 1
 S    1.041500      -4.430600     -0.2989000    
 S   -3.311700       3.649500     -0.1244000    
 O   -1.291800       1.849000     -0.4072000    
 O   -3.967700      -2.645100      0.6779000    
 O   0.4762000      -5.211900      -1.616900    
 O   -2.995900       3.642000      -1.725600    
 O    2.435500      -4.109700     -0.5558000    
 O   0.6536000      -5.185900      0.8797000    
 O   -4.338100       4.650000      0.1081000    
 O   -2.049800       3.688600      0.5913000    
 O    6.935400      0.6120000       1.866400    
 N   0.9309000      0.6292000     -0.7934000    
 N   -1.862700      -4.112700      0.3419000    
 N    6.339900       1.852100     -4.8300002E-02
 C   -1.202500     -0.4783000     -0.1859000    
 C   -1.889300      -1.661200      9.5200002E-02
 C   -3.344600      0.8506000      0.1721000    
 C   -4.031400     -0.3323000      0.4536000    
 C   0.1618000     -0.5202000     -0.4976000    
 C   -1.905000      0.8209000     -0.1578000    
 C   -1.212100      -2.886100      6.4000003E-02
 C   -3.328700      -1.631300      0.4259000    
 C   0.1475000      -2.923400     -0.2473000    
 C   -4.022300       2.075300      0.2015000    
 C   0.8329000      -1.742900     -0.5275000    
 C   -5.395800     -0.2904000      0.7644000    
 C   -5.382000       2.112400      0.5115000    
 C   -6.067300      0.9321000      0.7923000    
 C    2.289600      0.9373000     -0.6056000    
 C    2.939700       1.808400      -1.483300    
 C    2.996600      0.3730000      0.4592000    
 C    4.288200       2.113300      -1.297500    
 C    4.345000      0.6781000      0.6451000    
 C    4.990800       1.548100     -0.2333000    
 C    7.202300       1.386300      0.9531000    
 C    8.591500       1.953800      0.8030000    
 H    1.881100      -1.780700     -0.8077000    
 H   -5.955300      -1.195000      0.9873000    
 H   0.4103000       1.354800      -1.276900    
 H   -5.957200       3.032300      0.5443000    
 H   -7.126200      0.9629000       1.032500    
 H   -1.371100      -4.992900      0.2848000    
 H   -2.846600      -4.129100      0.5698000    
 H    2.403800       2.254900      -2.317200    
 H    2.513900     -0.2871000       1.175000    
 H    4.778800       2.792500      -1.990000    
 H    4.820400      0.2073000       1.494100    
 H   0.6207000      -4.750800      -2.476600    
 H   -3.782300       3.541400      -2.311900    
 H    6.737900       2.493700     -0.7310000    
 H    9.018200       1.637800     -0.1530000    
 H    9.229400       1.592000       1.614200    
 H    8.552700       3.046000      0.8432000    


%chk=000081286-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000081286

0 1
S 1.094593 -4.537213 -0.171054
S -3.404254 3.793147 -0.034101
O -1.353168 1.883516 -0.374908
O -4.170111 -2.778016 0.494572
O 0.775168 -4.793824 -1.977251
O -2.753618 3.840501 -1.775935
O 2.662187 -4.228725 0.055457
O 0.381757 -5.752393 0.642780
O -4.684541 4.801688 -0.108624
O -2.280596 4.117084 1.067824
O 7.354021 0.367780 1.293557
N 0.873491 0.651805 -0.331978
N -1.997599 -4.177940 0.406813
N 6.408100 1.934966 -0.177240
C -1.271721 -0.507661 -0.043568
C -2.008768 -1.732244 0.149832
C -3.432439 0.820096 0.095644
C -4.164711 -0.391233 0.284292
C 0.169544 -0.525415 -0.169045
C -1.972542 0.774286 -0.115931
C -1.331772 -3.010515 0.185083
C -3.466946 -1.704705 0.313810
C 0.093773 -2.957700 -0.026458
C -4.173285 2.027462 0.092108
C 0.825374 -1.798692 -0.197261
C -5.574120 -0.362594 0.442695
C -5.564436 2.074918 0.244502
C -6.269783 0.856117 0.417493
C 2.269694 0.884131 -0.272032
C 2.777445 1.982188 -1.021977
C 3.167965 0.144842 0.545819
C 4.139655 2.308864 -0.972015
C 4.537732 0.462661 0.592351
C 5.040990 1.548920 -0.174681
C 7.478766 1.362962 0.522670
C 8.826543 2.039324 0.285948
H 1.899322 -1.864655 -0.395982
H -6.089508 -1.317004 0.581747
H 0.226610 1.474367 -0.464009
H -6.079393 3.041103 0.230112
H -7.357368 0.877576 0.535480
H -1.479251 -5.058534 0.510343
H -3.025247 -4.090994 0.516587
H 2.094949 2.569918 -1.645180
H 2.799485 -0.653237 1.197223
H 4.509454 3.158527 -1.559646
H 5.221497 -0.104053 1.226313
H 1.240454 -5.636221 -2.256651
H -3.218184 4.648532 -2.154297
H 6.634564 2.739777 -0.765842
H 9.541948 1.288004 -0.089958
H 9.217364 2.405927 1.250843
H 8.789613 2.882579 -0.425470


