%chk=000074216.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000074216

0 1
 S    3.359900      -1.487400     -9.0499997E-02
 O    2.936200      -1.635300      -1.469800    
 O    3.506700      -2.655200      0.7570000    
 N    2.353200     -0.3625000      0.6912000    
 C   -4.242300      0.8251000      0.2429000    
 C   -2.850200      0.3112000     -0.1355000    
 C   -5.377600     -8.7700002E-02 -0.2287000    
 C   -1.712900       1.184600      0.3988000    
 C   -6.737600      0.4376000      0.2391000    
 C  -0.3481000      0.6430000     -3.4699999E-02
 C   -7.915600     -0.4255000     -0.2223000    
 C   0.7895000       1.533400      0.4747000    
 C   -9.279200      0.1387000      0.1821000    
 C    2.167100      0.9870000      0.1154000    
 C   -10.41860     -0.7223000     -0.3650000    
 C   -11.77730     -0.1467000      1.3000000E-03
 C    4.915600     -0.6479000     -8.5000001E-02
 C    5.796100     -0.8189000      0.9834000    
 C    5.263200      0.1841000      -1.149100    
 C    7.371800      0.6745000     -7.6700002E-02
 C    7.024100     -0.1577000      0.9875000    
 C    6.491400      0.8454000      -1.144900    
 C    8.684600       1.382400     -7.1400002E-02
 H   -4.382400       1.828100     -0.1788000    
 H   -4.295900      0.9301000       1.333700    
 H   -2.779600      0.2486000      -1.228500    
 H   -2.728600     -0.7095000      0.2481000    
 H   -5.362400     -0.1563000      -1.322800    
 H   -5.223900      -1.100500      0.1624000    
 H   -1.764900       1.225400       1.493400    
 H   -1.836400       2.209900      2.9800000E-02
 H   -6.875200       1.459100     -0.1368000    
 H   -6.747800      0.4996000       1.334400    
 H  -0.3020000      0.5843000      -1.128900    
 H  -0.2362000     -0.3779000      0.3486000    
 H   -7.876600     -0.5217000      -1.314700    
 H   -7.803500      -1.436600      0.1882000    
 H   0.7127000       1.627700       1.565300    
 H   0.6840000       2.541800      5.7399999E-02
 H   -9.378000       1.162500     -0.1987000    
 H   -9.344900      0.1924000       1.275400    
 H    2.938700       1.651500      0.5176000    
 H    2.267900      0.9558000     -0.9742000    
 H   -10.34250     -0.7923000      -1.456400    
 H   -10.33870      -1.740900      3.2000002E-02
 H    2.245900     -0.4294000       1.711100    
 H   -12.57690     -0.7785000     -0.3981000    
 H   -11.90150      0.8597000     -0.4112000    
 H   -11.89920     -9.0499997E-02   1.087800    
 H    5.543100      -1.456500       1.825600    
 H    4.592200      0.3332000      -1.990100    
 H    7.701700     -0.2987000       1.825400    
 H    6.751300       1.490300      -1.980100    
 H    9.448100      0.7613000     -0.5502000    
 H    8.621500       2.336100     -0.6064000    
 H    9.006800       1.609600      0.9505000    


%chk=000074216-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000074216

0 1
S 3.683539 -1.451974 -0.428449
O 3.420378 -1.434365 -2.031698
O 3.701242 -2.800860 0.477304
N 2.332039 -0.431084 0.285825
C -4.387237 0.799226 0.184594
C -3.030337 0.260979 -0.322328
C -5.593254 -0.059777 -0.257656
C -1.826221 1.114508 0.135542
C -6.948693 0.482419 0.249302
C -0.469747 0.573136 -0.367662
C -8.156159 -0.380073 -0.182556
C 0.723475 1.431050 0.103620
C -9.510845 0.165195 0.323251
C 2.100496 0.888812 -0.346992
C -10.718851 -0.699646 -0.103958
C -12.067765 -0.144888 0.403159
C 5.334174 -0.559737 -0.130905
C 6.042874 -0.851970 1.046154
C 5.793644 0.342700 -1.103796
C 7.773427 0.748456 0.313606
C 7.268922 -0.184570 1.259369
C 7.021966 0.999175 -0.865217
C 9.109597 1.431957 0.539788
H -4.527165 1.839862 -0.176805
H -4.366846 0.856221 1.293405
H -3.045680 0.212551 -1.431178
H -2.893319 -0.782095 0.031147
H -5.614023 -0.120019 -1.366047
H -5.454946 -1.099360 0.106533
H -1.814362 1.159689 1.245349
H -1.963960 2.159174 -0.216047
H -7.089453 1.520031 -0.120176
H -6.924602 0.548772 1.357450
H -0.474931 0.535170 -1.476604
H -0.323725 -0.467928 -0.022724
H -8.179879 -0.448822 -1.290499
H -8.016785 -1.416944 0.189253
H 0.705866 1.521963 1.210157
H 0.627836 2.462370 -0.294050
H -9.653150 1.200825 -0.051270
H -9.487230 0.236998 1.431082
H 2.897459 1.627594 -0.105226
H 2.095951 0.726234 -1.440236
H -10.740420 -0.772967 -1.210620
H -10.577365 -1.733403 0.272545
H 2.449694 -0.425707 1.313123
H -12.914436 -0.781000 0.085210
H -12.246991 0.875705 0.014802
H -12.082804 -0.089307 1.508241
H 5.660307 -1.596752 1.752140
H 5.223694 0.502121 -2.025119
H 7.844585 -0.396648 2.167847
H 7.404316 1.708177 -1.608577
H 9.937373 0.816009 0.138165
H 9.155484 2.412266 0.034974
H 9.309647 1.588152 1.614056


