%chk=000100898.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000100898

0 1
 S    1.955700      -3.714800      0.3501000    
 S   -1.947700      -3.465500      0.2479000    
 P    1.593000      -1.818100      0.1914000    
 P   -1.339100      -1.630500      0.1166000    
 O    2.605300     -0.8215000      0.9867000    
 O   -2.239000     -0.5038000      0.8740000    
 O    1.631200      -1.183400      -1.307800    
 O   -1.244200      -1.008000      -1.385100    
 O   0.1378000      -1.329200      0.7167000    
 C    3.317900      0.5536000     -0.9087000    
 C   -2.573900       1.024000      -1.003000    
 C    2.670500      0.5270000      0.5136000    
 C   -3.250000      0.1197000      7.7100001E-02
 C    3.373800       1.360300       1.578000    
 C   -4.223900      0.8195000       1.016700    
 C    2.896500     -0.6915000      -1.739400    
 C   -1.226300      0.4133000      -1.480800    
 C    4.857800      0.5746000     -0.8592000    
 C    2.845500       1.827600      -1.638000    
 C   -2.276400       2.445700     -0.4886000    
 C   -3.529700       1.141800      -2.207400    
 C    3.440800       2.826500       1.155800    
 C    2.665800       1.221700       2.924300    
 C   -5.356000       1.475400      0.2280000    
 C   -4.785300     -0.1646000       2.041300    
 H    1.632500      0.8777000      0.4412000    
 H   -3.789300     -0.6947000     -0.4266000    
 H    4.393200      0.9885000       1.739800    
 H   -3.702800       1.589300       1.599100    
 H    2.830500     -0.4723000      -2.809900    
 H    3.623200      -1.505400      -1.629700    
 H  -0.9952000      0.6840000      -2.516200    
 H  -0.3955000      0.7780000     -0.8676000    
 H    5.239400     -0.2693000     -0.2729000    
 H    5.273900      0.4816000      -1.870000    
 H    5.279300       1.488500     -0.4388000    
 H    3.350200       2.743800      -1.336100    
 H    3.049100       1.745500      -2.713400    
 H    1.764800       1.974300      -1.537700    
 H   -3.161000       3.047700     -0.2818000    
 H   -1.675000       2.409100      0.4272000    
 H   -1.695300       3.005400      -1.232300    
 H   -4.389800       1.790300      -2.051100    
 H   -3.003000       1.577100      -3.066400    
 H   -3.891100      0.1588000      -2.529200    
 H    2.485100       3.186700      0.7615000    
 H    3.667200       3.452400       2.028500    
 H    4.245900       3.039700      0.4534000    
 H    1.622000       1.548200       2.859600    
 H    3.160400       1.831600       3.688300    
 H    2.676400      0.1873000       3.282800    
 H   -5.778600      0.7974000     -0.5209000    
 H   -6.178300       1.731200      0.9082000    
 H   -5.082600       2.421600     -0.2360000    
 H   -5.309700     -0.9924000       1.551500    
 H   -5.496600      0.3334000       2.709400    
 H   -3.995600     -0.5877000       2.670800    


%chk=000100898-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000100898

0 1
S 1.729238 -3.567486 -0.888478
S -1.870276 -3.001938 1.490672
P 1.668148 -1.577083 -0.474526
P -1.427168 -1.435642 0.272887
O 2.881470 -0.999470 0.610626
O -2.067623 0.155245 0.575823
O 1.859038 -0.392681 -1.755974
O -1.913891 -1.621948 -1.387602
O 0.221895 -0.881027 0.195666
C 3.661221 1.036476 -0.660228
C -3.248693 0.530817 -1.620206
C 2.995465 0.517274 0.673433
C -3.432216 0.354008 -0.063164
C 3.702831 0.787740 2.024423
C -4.075200 1.499686 0.756238
C 3.278771 0.076080 -1.830392
C -2.006188 -0.294288 -2.081971
C 5.209621 1.043012 -0.606290
C 3.096775 2.444503 -0.991386
C -2.957049 1.995107 -2.035429
C -4.499037 -0.032440 -2.348462
C 3.821524 2.303025 2.332352
C 2.938778 0.089764 3.177500
C -5.526768 1.810732 0.309619
C -4.070583 1.146387 2.264677
H 1.959904 0.911619 0.724079
H -4.017143 -0.576320 0.107088
H 4.720520 0.354009 1.968461
H -3.455142 2.405845 0.608768
H 3.331483 0.600136 -2.798916
H 3.949288 -0.804409 -1.854032
H -2.085580 -0.570721 -3.145941
H -1.066305 0.262323 -1.909780
H 5.601102 0.059274 -0.289285
H 5.626987 1.268685 -1.606268
H 5.593673 1.808112 0.089075
H 3.239745 3.158037 -0.163934
H 3.601360 2.858749 -1.884320
H 2.014106 2.381664 -1.207549
H -3.837588 2.646349 -1.902659
H -2.121845 2.415239 -1.445868
H -2.673886 2.039510 -3.104328
H -5.435796 0.424608 -1.990934
H -4.424530 0.157322 -3.435500
H -4.571028 -1.125597 -2.198276
H 2.825828 2.786671 2.327711
H 4.249997 2.436770 3.342114
H 4.471514 2.843697 1.623513
H 1.907017 0.482219 3.258868
H 3.450859 0.277595 4.139036
H 2.877531 -0.997509 3.016850
H -6.166419 0.910853 0.387295
H -5.954990 2.580294 0.977080
H -5.593166 2.193007 -0.722622
H -4.683761 0.245090 2.458144
H -4.500042 1.979734 2.850504
H -3.049978 0.948393 2.626719


