%chk=000087863.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000087863

0 1
 S   0.6155000      0.9433000      3.3199999E-02
 O   -3.910600      -1.121300     -0.6821000    
 O   -3.985100     -6.6699997E-02   1.356900    
 O   -2.080300       2.707800      -1.913700    
 O   -1.410000       4.096500     -0.2517000    
 O    6.816800      -1.024300     -0.7535000    
 N   -2.626100      0.6957000     -0.3619000    
 C   -4.865600      -2.076800     -0.2188000    
 C   -2.040800       1.826400      0.3210000    
 C   -6.145000      -1.336800      0.1689000    
 C   -4.275000      -2.811000      0.9840000    
 C   -5.134200      -3.050900      -1.363800    
 C  -0.7807000       1.436800       1.097700    
 C   -3.547500     -0.1533000      0.2143000    
 C    1.832300      0.6410000       1.333400    
 C    3.158000      0.1985000      0.7782000    
 C   -1.801800       2.995800     -0.6198000    
 C    4.130100       1.145000      0.4543000    
 C    3.415400      -1.159000      0.5871000    
 C    5.359600      0.7341000     -6.0500000E-02
 C    4.644800      -1.570000      7.2200000E-02
 C    5.616900     -0.6235000     -0.2516000    
 C    7.013600      -2.427200     -0.9236000    
 H   -2.791100       2.177600       1.041300    
 H   -6.098300     -0.8198000       1.130600    
 H   -6.411500     -0.5897000     -0.5878000    
 H   -6.981900      -2.040200      0.2543000    
 H   -3.237600      -3.108300      0.7906000    
 H   -4.276200      -2.236600       1.913600    
 H   -4.850200      -3.720000       1.197300    
 H   -5.861400      -3.819800      -1.083500    
 H   -4.208300      -3.547300      -1.676700    
 H   -5.513400      -2.520000      -2.244500    
 H  -0.4512000       2.290200       1.700800    
 H   -1.003500      0.6075000       1.778100    
 H   -2.334900      0.5032000      -1.315800    
 H    1.968400       1.554900       1.923200    
 H    1.448100     -0.1227000       2.019600    
 H    3.941800       2.205700      0.5976000    
 H    2.665400      -1.905700      0.8349000    
 H    6.112900       1.476000     -0.3109000    
 H    4.778300      -2.639300     -5.1100001E-02
 H   -1.925900       3.477200      -2.502300    
 H    6.981800      -2.957000      3.4499999E-02
 H    6.312400      -2.846400      -1.653300    
 H    8.020200      -2.565300      -1.331800    


%chk=000087863-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000087863

0 1
S 0.545520 -0.396216 1.011445
O -4.159845 -1.159955 -0.649889
O -4.189651 0.021892 1.416837
O -1.105707 2.012166 -1.571048
O -0.099086 3.027872 0.255396
O 6.733289 -0.720464 -1.421710
N -2.480344 0.272361 -0.154263
C -5.453116 -1.923135 -0.388848
C -1.763009 1.254180 0.654418
C -6.617208 -0.921868 -0.250125
C -5.280680 -2.808921 0.861387
C -5.582614 -2.768120 -1.667744
C -0.883230 0.606775 1.755714
C -3.664479 -0.268770 0.304265
C 2.025158 0.724981 1.549942
C 3.269970 0.327145 0.802450
C -0.902232 2.185094 -0.200684
C 3.606555 0.954720 -0.428831
C 4.130226 -0.684902 1.292775
C 4.760873 0.588840 -1.141429
C 5.294048 -1.070128 0.589790
C 5.608592 -0.429086 -0.634157
C 7.637834 -1.769673 -0.946554
H -2.518781 1.881864 1.173712
H -6.495246 -0.299822 0.650388
H -6.668510 -0.266241 -1.137532
H -7.571343 -1.474967 -0.173907
H -4.397957 -3.463627 0.751360
H -5.161224 -2.192968 1.766610
H -6.172968 -3.450027 0.983354
H -6.496834 -3.386227 -1.618511
H -4.711065 -3.435316 -1.782250
H -5.643907 -2.118328 -2.557706
H -0.449820 1.384451 2.405883
H -1.507630 -0.070324 2.358312
H -2.126032 0.014172 -1.075348
H 1.717838 1.758898 1.324725
H 2.134039 0.591406 2.638611
H 2.954527 1.743109 -0.823180
H 3.887419 -1.184470 2.238443
H 5.030184 1.071748 -2.085684
H 5.936029 -1.855375 1.000020
H -0.515189 2.634458 -2.075670
H 8.081623 -1.506333 0.033434
H 7.118132 -2.744534 -0.868378
H 8.430052 -1.832037 -1.706923


