%chk=000154927.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000154927

0 1
 S   -2.829300      -2.509900     -0.3922000    
 S    3.890400      -1.520400       1.084300    
 O   -5.128700     -0.5711000     -0.2298000    
 O    4.585900     -0.2607000      -1.561800    
 O   -2.513700       3.255900      0.8272000    
 O   0.8581000       2.684700      -1.736200    
 O  -6.3999998E-03   2.707200       1.521600    
 O   -3.236600      -2.594100      -1.972600    
 O    5.261500     -0.7929000       1.595700    
 O   -1.487200      -3.056900     -0.2682000    
 O   -3.928900      -3.052500      0.3888000    
 O    3.132500      -1.883900       2.271500    
 O    4.251100      -2.523300      9.5700003E-02
 C   -1.419700       1.145200      0.5049000    
 C    1.136800       1.210300      0.1349000    
 C  -0.1130000       1.734800      0.7612000    
 C   -2.747700     -0.8002000     -3.2499999E-02
 C    3.000200     -0.2739000      0.2398000    
 C   -1.505400     -0.2167000      0.2155000    
 C    1.830400      0.2294000      0.8086000    
 C   -2.576500       1.923600      0.5461000    
 C    1.551900       1.713900      -1.077100    
 C   -3.904500     -2.1800000E-02  8.8999998E-03
 C    3.445900      0.2168000     -0.9876000    
 C   -3.818900       1.340100      0.2981000    
 C    2.721800       1.210700      -1.646100    
 C   -6.254100      0.3023000     -0.1658000    
 C    5.804000      0.4035000      -1.232800    
 H  -0.6120000     -0.8303000      0.1872000    
 H    1.465500     -0.1315000       1.765300    
 H   -4.676800       2.002500      0.3463000    
 H    3.068400       1.593100      -2.603000    
 H   -1.591400       3.552400      0.8792000    
 H   8.6400002E-02   2.962100      -1.216800    
 H   -2.590600      -2.188700      -2.597900    
 H    5.133300     -3.6699999E-02   2.215500    
 H   -6.207000       1.080100     -0.9356000    
 H   -6.389400      0.7149000      0.8398000    
 H   -7.141700     -0.3018000     -0.3813000    
 H    6.576200     -0.3513000      -1.061400    
 H    5.713800       1.033100     -0.3410000    
 H    6.104500       1.026800      -2.080100    


%chk=000154927-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000154927

0 1
S -3.218610 -2.088835 -1.650653
S 4.695769 -0.210825 1.854906
O -5.384577 -0.273733 -0.536825
O 4.743261 -0.302455 -1.635812
O -2.459401 2.668613 1.971782
O 0.313835 1.083991 -2.134909
O 0.011452 2.256580 1.874310
O -3.815364 -1.199775 -3.164223
O 5.854267 1.240549 1.629005
O -1.729655 -2.659809 -1.924006
O -4.371575 -3.103534 -1.152634
O 3.982162 -0.032621 3.295884
O 5.502497 -1.578392 1.554303
C -1.467725 0.957193 0.522391
C 1.114190 0.909160 0.231047
C -0.116676 1.402543 0.903872
C -3.016438 -0.555802 -0.600422
C 3.461638 0.227212 0.510674
C -1.712512 -0.180695 -0.298435
C 2.241791 0.670126 1.044902
C -2.615041 1.646825 1.082617
C 1.282145 0.763371 -1.188848
C -4.153248 0.174506 -0.128356
C 3.643114 0.076741 -0.904742
C -3.932519 1.272904 0.726169
C 2.516320 0.358646 -1.718865
C -6.590509 0.417602 -0.047601
C 6.139332 -0.285081 -1.134455
H -0.890541 -0.805363 -0.668397
H 2.147541 0.803751 2.128722
H -4.756264 1.846496 1.156347
H 2.636556 0.287765 -2.802201
H -1.437269 2.732370 2.182995
H -0.554780 1.336166 -1.727762
H -4.279662 -1.876853 -3.737437
H 6.421161 1.293989 2.453001
H -6.594530 1.472684 -0.376574
H -6.654612 0.355274 1.053822
H -7.425939 -0.127534 -0.506378
H 6.744503 -0.316331 -2.051582
H 6.326555 -1.169813 -0.506426
H 6.338458 0.637193 -0.562909


