%chk=000056084.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000056084

0 1
 S    2.119200      -1.355000     -0.8924000    
 S    4.424200     -8.2599998E-02  -2.259700    
 O   -3.598300       1.982900      0.3116000    
 O  -0.2853000       2.389200     -0.6222000    
 O  -0.6304000      -1.498900      -1.607500    
 N   -1.380700      0.3275000     -0.3411000    
 N    4.181900     -0.2371000      0.4860000    
 C   -2.663100     -0.2340000     -8.6000003E-03
 C   -3.732300      0.6207000      0.2931000    
 C   -1.213700       1.714500     -0.1785000    
 C    5.453800      0.4565000      0.7036000    
 C    3.498300     -0.6136000       1.727100    
 C   -2.286300       2.363800      0.6674000    
 C  -0.4042000     -0.4693000     -0.9679000    
 C    1.009800      5.9300002E-02 -0.8942000    
 C   -2.899300      -1.617100      2.9899999E-02
 C   -5.011900      0.1213000      0.5535000    
 C    3.677900     -0.5024000     -0.8027000    
 C    5.264800       1.958300      0.7568000    
 C    3.879900      -2.011300       2.168800    
 C   -4.173300      -2.120400      0.3130000    
 C   -5.231000      -1.252200      0.5642000    
 H    5.906200      9.9100001E-02   1.636100    
 H    6.162500      0.2044000     -9.0899996E-02
 H    3.757800      0.1076000       2.511200    
 H    2.414000     -0.5474000       1.616500    
 H   -2.097800       2.143100       1.725800    
 H   -2.214400       3.449500      0.5412000    
 H    1.177500      0.6179000      2.8899999E-02
 H    1.200500      0.6921000      -1.765300    
 H   -2.111700      -2.348700     -0.1153000    
 H   -5.835900      0.7984000      0.7619000    
 H    4.833100       2.347600     -0.1701000    
 H    6.226400       2.456000      0.9174000    
 H    4.596200       2.243900       1.575600    
 H    3.361100      -2.270500       3.097000    
 H    4.956800      -2.087500       2.351800    
 H    3.621400      -2.761600       1.415500    
 H   -4.335900      -3.194300      0.3409000    
 H   -6.220200      -1.645200      0.7782000    


%chk=000056084-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000056084

0 1
S 2.066354 0.692442 2.601989
S 1.516454 0.504051 -0.471292
O -3.128718 1.989235 -1.184067
O -1.750268 3.060176 1.974174
O -0.600000 -0.760517 2.247077
N -1.749016 0.898649 1.022898
N 3.797298 -0.339892 0.783515
C -2.421147 0.000333 0.089539
C -3.069296 0.584860 -1.036215
C -2.175251 2.246253 1.109302
C 4.326232 -0.809565 -0.527838
C 4.683120 -0.567113 1.959500
C -3.254796 2.662587 0.114200
C -0.651130 0.428653 1.865709
C 0.398361 1.472339 2.271329
C -2.409625 -1.412506 0.198183
C -3.639085 -0.204323 -2.050790
C 2.556563 0.231643 0.862959
C 5.098505 0.295548 -1.276329
C 4.445885 -1.939258 2.626271
C -2.989717 -2.205240 -0.816528
C -3.592359 -1.610303 -1.946981
H 4.979482 -1.678428 -0.324137
H 3.470167 -1.149471 -1.135477
H 5.725081 -0.486596 1.599445
H 4.534669 0.249115 2.688780
H -4.255494 2.460654 0.552263
H -3.150237 3.740080 -0.075728
H 0.121334 1.941818 3.230176
H 0.517454 2.257428 1.513959
H -1.933800 -1.881691 1.058150
H -4.110908 0.300720 -2.898784
H 4.426886 1.141176 -1.500467
H 5.490543 -0.099688 -2.231029
H 5.952765 0.667945 -0.682040
H 5.137445 -2.069215 3.478464
H 4.621207 -2.764877 1.913326
H 3.411917 -2.017130 3.002208
H -2.964076 -3.295066 -0.715932
H -4.035200 -2.230329 -2.733181


