%chk=000069034.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000069034

0 1
 S   0.8145000      -2.228100     -0.1855000    
 O    1.746000      -3.125900      0.4717000    
 O   0.3994000      -2.492900      -1.549600    
 N  -0.5672000      -2.018400      0.8217000    
 C    1.542200     -0.6152000     -0.1457000    
 C   -1.473000     -0.9527000      0.5337000    
 C    2.473400     -0.3202000      0.8333000    
 C    1.164800      0.3172000      -1.094800    
 C    2.679500       1.905200     -8.4299996E-02
 C    3.047100      0.9509000      0.8643000    
 C    1.738500       1.588300      -1.064000    
 C   -2.123600     -0.9040000     -0.6992000    
 C   -1.706700      3.9999999E-02   1.485200    
 C   -3.241400       1.130200     -2.9100001E-02
 C   -3.007800      0.1375000     -0.9807000    
 C   -2.591000       1.081500       1.203900    
 C    3.293600       3.263700     -5.2200001E-02
 C   -4.188400       2.242900     -0.3287000    
 H  -0.4254000      -2.206900       1.822700    
 H    2.766700      -1.046200       1.585100    
 H   0.4412000      9.0300001E-02  -1.871000    
 H    3.779100       1.185800       1.632400    
 H    1.446400       2.322100      -1.810600    
 H   -1.982400      -1.678700      -1.446300    
 H   -1.204100      1.3300000E-02   2.448600    
 H   -3.514800      0.1603000      -1.941700    
 H   -2.765900       1.848300       1.954000    
 H    2.598300       4.020600     -0.4311000    
 H    3.556900       3.554500      0.9705000    
 H    4.199600       3.281000     -0.6661000    
 H   -3.892400       3.162800      0.1870000    
 H   -4.206700       2.468500      -1.400400    
 H   -5.199700       1.971600     -1.0200000E-02


%chk=000069034-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000069034

0 1
S 0.838840 -2.182474 -0.225771
O 1.761778 -3.255975 0.575154
O 0.326349 -2.406682 -1.749200
N -0.793575 -2.077657 0.862338
C 1.715613 -0.505859 -0.170497
C -1.669204 -0.996711 0.568359
C 2.675484 -0.295272 0.833839
C 1.375985 0.461732 -1.130455
C 3.009714 1.977532 -0.068599
C 3.321442 0.959674 0.872827
C 2.033856 1.709801 -1.065277
C -2.387586 -1.013715 -0.660865
C -1.884597 0.073029 1.482895
C -3.552415 1.070765 -0.031840
C -3.300701 0.016713 -0.952693
C -2.831972 1.074850 1.191569
C 3.731961 3.311681 -0.032762
C -4.585756 2.140714 -0.333587
H -0.423450 -2.076376 1.831587
H 2.926922 -1.095893 1.537511
H 0.639720 0.237590 -1.908592
H 4.080325 1.149084 1.640787
H 1.786962 2.483462 -1.801342
H -2.217905 -1.839206 -1.358310
H -1.319439 0.107791 2.423269
H -3.846169 -0.005624 -1.903840
H -3.005653 1.880229 1.915492
H 3.097111 4.127711 -0.419131
H 4.047525 3.576250 0.991263
H 4.644183 3.280554 -0.659665
H -4.347611 3.091193 0.175521
H -4.659575 2.340280 -1.417087
H -5.591461 1.828110 0.010004


