%chk=000005392.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005392

0 1
 S   3.1000001E-03   3.700400     -1.9999999E-04
 S   -3.204800      -2.785200     -0.2579000    
 S    3.202400      -2.783700      0.2597000    
 P   -4.669000      -1.552800      0.1176000    
 P    4.667700      -1.553100     -0.1173000    
 O   -4.559000     -6.3600004E-02 -0.5256000    
 O    4.564700     -6.8599999E-02  0.5263000    
 O   -4.984900      -1.222900       1.679200    
 O   -6.140400      -2.016600     -0.4040000    
 O    6.138700      -2.018000      0.4044000    
 O    4.983600      -1.224900      -1.679200    
 C   -1.369700       2.567500     -0.1584000    
 C    1.371400       2.569600      0.1577000    
 C   -3.513400      0.7993000     -0.4051000    
 C    3.513800      0.7999000      0.4048000    
 C   -2.166200       2.592500      -1.303200    
 C    2.167800       2.594300       1.302500    
 C   -1.645000       1.658300      0.8632000    
 C    1.646000       1.660000     -0.8636000    
 C   -3.238000       1.708400      -1.426600    
 C    3.239000       1.709500       1.426000    
 C   -2.716900      0.7743000      0.7398000    
 C    2.717200      0.7752000     -0.7399000    
 C   -5.566700      -2.217000       2.505400    
 C   -6.405100      -2.089900      -1.794900    
 C    6.403500      -2.091200       1.795300    
 C    5.560200      -2.221700      -2.505700    
 H   -1.966300       3.293400      -2.109900    
 H    1.968600       3.295500       2.109200    
 H   -1.042700       1.626000       1.767700    
 H    1.043800       1.627700      -1.768300    
 H   -3.854800       1.731700      -2.320800    
 H    3.855900       1.732300       2.320200    
 H   -2.905000      8.8799998E-02   1.558000    
 H    2.905000      8.9299999E-02  -1.558000    
 H   -5.584200      -1.848600       3.534000    
 H   -4.977800      -3.136700       2.468800    
 H   -6.591900      -2.417000       2.183900    
 H   -6.242300      -1.116200      -2.263600    
 H   -5.764500      -2.841300      -2.262400    
 H   -7.449500      -2.379300      -1.935600    
 H    6.246800      -1.116100       2.263000    
 H    5.758700      -2.838300       2.264200    
 H    7.446200      -2.386700       1.935800    
 H    6.582800      -2.430500      -2.181800    
 H    4.964000      -3.136800      -2.472900    
 H    5.583600      -1.851200      -3.533500    


%chk=000005392-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000005392

0 1
S -0.003744 3.894864 0.008108
S -3.865839 -2.040747 -2.198882
S 3.870928 -2.040493 2.197134
P -4.860276 -1.414653 -0.504656
P 4.860428 -1.409407 0.501869
O -4.886045 0.286485 -0.121948
O 4.883572 0.292606 0.123412
O -4.343788 -2.037623 1.018027
O -6.548200 -1.740131 -0.403294
O 6.548319 -1.733501 0.395225
O 4.340952 -2.029332 -1.021055
C -1.435872 2.733468 -0.039592
C 1.429669 2.734824 0.050384
C -3.695808 1.070199 -0.102633
C 3.692094 1.074727 0.107072
C -2.520401 3.049560 -0.891454
C 2.514842 3.050596 0.901731
C -1.493752 1.589868 0.792963
C 1.488230 1.593314 -0.784759
C -3.659042 2.214676 -0.924217
C 3.654703 2.217338 0.931287
C -2.623158 0.747661 0.759441
C 2.618979 0.752665 -0.754488
C -4.097920 -3.496933 1.125977
C -7.381884 -1.538082 -1.611884
C 7.385451 -1.533445 1.601771
C 4.100201 -3.489218 -1.132780
H -2.468983 3.929198 -1.541022
H 2.462962 3.928728 1.553293
H -0.660061 1.354898 1.461908
H 0.654192 1.358489 -1.453323
H -4.502901 2.433514 -1.584755
H 4.498988 2.435906 1.591365
H -2.686861 -0.138861 1.398210
H 2.683125 -0.132325 -1.395339
H -3.617462 -3.624182 2.106877
H -3.425432 -3.840621 0.318882
H -5.054562 -4.045698 1.091916
H -7.540182 -0.459966 -1.786318
H -6.911341 -2.006754 -2.495880
H -8.335804 -2.031851 -1.376229
H 7.545081 -0.455639 1.776837
H 6.916974 -2.002754 2.486537
H 8.338352 -2.027751 1.363092
H 5.059150 -4.034275 -1.104605
H 3.432563 -3.838186 -0.323918
H 3.615965 -3.615155 -2.111990


