%chk=000131055.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000131055

0 1
 S    6.858300      0.8781000      -1.262700    
 O  -0.9679000     -0.1835000     -4.7200002E-02
 O  -0.2598000      -2.185700     -0.9355000    
 N   -4.616300      0.3292000     -0.1565000    
 N    5.155800      0.6640000      0.9175000    
 C   -3.212800      0.6228000      0.1312000    
 C   -5.030300     -0.9001000      0.5187000    
 C   -5.466200       1.447300      0.2510000    
 C   -2.320200     -0.5182000     -0.3302000    
 C   -6.468900      -1.253900      0.1818000    
 C   -5.050200       2.734000     -0.4415000    
 C  -3.5399999E-02  -1.109800     -0.4029000    
 C    1.330300     -0.6429000     -5.4000001E-02
 C    2.294300      -1.578300      0.2618000    
 C    1.593700      0.7117000     -5.8499999E-02
 C    3.577900      -1.140000      0.5874000    
 C    2.877400       1.149800      0.2671000    
 C    3.869400      0.2241000      0.5900000    
 C    5.871100      0.7516000     -1.7400000E-02
 H   -3.045400      0.8186000       1.199000    
 H   -2.862400       1.512100     -0.4040000    
 H   -4.455200      -1.760700      0.1674000    
 H   -4.906000     -0.8361000       1.606900    
 H   -6.504200       1.272000     -5.0000001E-02
 H   -5.456800       1.595300       1.338300    
 H   -2.437400     -0.6881000      -1.407500    
 H   -2.521000      -1.447000      0.2098000    
 H   -7.189500     -0.6124000      0.6983000    
 H   -6.657700      -1.206200     -0.8962000    
 H   -6.680200      -2.280100      0.5041000    
 H   -4.139800       3.165300     -1.4000000E-02
 H   -4.908100       2.590600      -1.518300    
 H   -5.836700       3.487000     -0.3159000    
 H    2.078500      -2.642500      0.2665000    
 H   0.8429000       1.451600     -0.3190000    
 H    4.342100      -1.870500      0.8403000    
 H    3.093200       2.215200      0.2652000    


%chk=000131055-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000131055

0 1
S 8.036114 0.971546 1.194058
O -0.998883 -0.039660 -0.136225
O -0.399734 -1.924543 -1.371894
N -4.705427 0.389212 0.196799
N 5.337727 0.357513 0.575958
C -3.261774 0.687440 0.358910
C -5.204254 -0.600069 1.191090
C -5.556766 1.602600 0.084418
C -2.434451 -0.332404 -0.432598
C -6.421203 -1.400016 0.689091
C -5.430012 2.296107 -1.285199
C -0.070161 -0.930041 -0.677810
C 1.331665 -0.559035 -0.331220
C 2.381057 -1.382802 -0.816299
C 1.641697 0.577353 0.461015
C 3.720164 -1.083556 -0.518672
C 2.977644 0.888087 0.766288
C 4.026183 0.057323 0.277524
C 6.487106 0.620872 0.836101
H -2.940069 0.677601 1.426856
H -3.046685 1.698207 -0.030006
H -4.381891 -1.309376 1.401629
H -5.449315 -0.106796 2.165808
H -6.607001 1.288209 0.222294
H -5.336007 2.334390 0.902403
H -2.607102 -0.237411 -1.518227
H -2.652265 -1.374034 -0.136253
H -7.288942 -0.747670 0.483301
H -6.167575 -1.932141 -0.244038
H -6.734198 -2.141471 1.447681
H -4.399251 2.646861 -1.476608
H -5.705347 1.594404 -2.091438
H -6.096653 3.177208 -1.336340
H 2.122511 -2.254416 -1.425876
H 0.828715 1.207221 0.831070
H 4.534076 -1.713675 -0.889139
H 3.226807 1.761261 1.376547


