%chk=000066898.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000066898

0 1
 S   -3.468300      0.2426000     -7.8599997E-02
 O   -4.641100     -0.7300000      0.5037000    
 O   -3.554300      0.2618000      -1.527500    
 O   -3.452400       1.469500      0.6972000    
 N   0.3447000      -1.005100      0.2528000    
 C    1.595000     -0.4438000     -0.2551000    
 C    1.779400      0.9821000      0.2759000    
 C    2.770600      -1.340300      0.1489000    
 C    3.114500       1.574600     -0.1723000    
 C    4.104100     -0.7451000     -0.2997000    
 C    4.286900      0.6790000      0.2174000    
 C  -0.7904000     -0.1954000     -0.1626000    
 C   -2.088800     -0.7498000      0.3997000    
 H    1.557300     -0.4137000      -1.352800    
 H    1.727400      0.9943000       1.372500    
 H    1.015600       1.670100     -9.7900003E-02
 H    2.655400      -2.338400     -0.2913000    
 H    2.787000      -1.473700       1.238800    
 H    3.246200       2.567200      0.2734000    
 H    3.106900       1.711600      -1.260800    
 H    4.153300     -0.7448000      -1.395600    
 H    4.927000      -1.374900      5.6600001E-02
 H    5.218800       1.098200     -0.1783000    
 H    4.383400      0.6602000       1.310000    
 H   0.2308000      -1.959500     -8.7300003E-02
 H  -0.8470000     -0.1487000      -1.256800    
 H  -0.7267000      0.8293000      0.2113000    
 H   -2.069000     -0.7821000       1.494200    
 H   -2.267400      -1.761200      1.8500000E-02
 H   -4.786200      -1.566800      2.7000001E-03


%chk=000066898-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000066898

0 1
S -3.454603 0.078127 -0.149870
O -4.117174 0.036359 1.609515
O -4.287656 -0.958932 -1.077789
O -3.294598 1.612962 -0.647825
N 0.452789 -1.291757 -0.503419
C 1.656566 -0.432469 -0.549216
C 1.587487 0.722396 0.482547
C 2.908829 -1.303171 -0.292662
C 2.873649 1.582423 0.444373
C 4.202765 -0.456416 -0.326692
C 4.134810 0.716847 0.679884
C -0.839620 -0.757623 -0.932377
C -1.729047 -0.661487 0.325008
H 1.763597 0.032075 -1.562592
H 1.456105 0.277463 1.489584
H 0.703446 1.360411 0.284648
H 2.965809 -2.113290 -1.048908
H 2.802608 -1.785726 0.700353
H 2.809254 2.384949 1.203467
H 2.952408 2.083356 -0.542806
H 4.351427 -0.052628 -1.349203
H 5.076187 -1.099659 -0.107153
H 5.046273 1.339896 0.600134
H 4.110911 0.311807 1.712627
H 0.620119 -2.270969 -0.746898
H -1.328355 -1.407538 -1.683761
H -0.722544 0.243894 -1.389822
H -1.345014 0.036306 1.083008
H -1.986485 -1.637721 0.761623
H -5.057244 0.377317 1.591219


