%chk=000039474.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000039474

0 1
 S   0.9187000     -0.5964000       2.546800    
 O   -2.160700       2.411900      -1.022400    
 O    6.363100      0.6030000      -1.385500    
 N    4.357400      0.3402000      0.6168000    
 C   -3.044100       2.003200      3.5399999E-02
 C   -2.258000       1.813300       1.318200    
 C   -1.222500      0.6546000       1.229600    
 C   -4.112900       3.077800      0.1332000    
 C   -4.247700       3.499500      -1.308500    
 C   -2.813400       3.435400      -1.788600    
 C  -0.4315000      0.6266000       2.566300    
 C   -1.850700     -0.6592000      0.8799000    
 C   -1.521600      -1.352100     -0.2966000    
 C    3.398500     -0.4406000       1.395800    
 C    2.113900      0.3567000       1.584500    
 C   -2.786900      -1.179100       1.774200    
 C    5.725900     -0.1506000      0.8308000    
 C    4.025000      0.2975000     -0.8140000    
 C   -2.151000      -2.589900     -0.5695000    
 C    6.706300      0.6714000     -8.9999998E-04
 C    5.045900       1.108000      -1.607400    
 C   -3.405600      -2.396500       1.505900    
 C  -0.5818000     -0.8438000      -1.208100    
 C   -3.090700      -3.098500      0.3421000    
 C   -1.822000      -3.283100      -1.745700    
 C  -0.2672000      -1.545900      -2.371900    
 C  -0.8862000      -2.763200      -2.640300    
 H   -3.519500       1.069100     -0.2854000    
 H   -2.952200       1.642300       2.150200    
 H   -1.714600       2.740500       1.546100    
 H  -0.5116000       1.001200      0.4830000    
 H   -5.046900       2.711200      0.5680000    
 H   -3.764100       3.927000      0.7333000    
 H   -4.857900       2.769700      -1.853900    
 H   -4.697700       4.487000      -1.438700    
 H   -2.737300       3.202500      -2.854400    
 H   -2.289200       4.377800      -1.598200    
 H   -1.088200      0.3716000       3.405000    
 H  -1.1700000E-02   1.613400       2.792300    
 H    3.206000      -1.416300      0.9299000    
 H    3.815300     -0.6420000       2.392300    
 H    2.328300       1.293100       2.111600    
 H    1.663700      0.6026000      0.6219000    
 H   -3.055300     -0.6557000       2.687400    
 H    6.003200     -6.3800000E-02   1.887500    
 H    5.798700      -1.208000      0.5444000    
 H    4.028700     -0.7392000      -1.175600    
 H    3.035000      0.7197000      -1.011600    
 H    7.718300      0.2694000      0.1111000    
 H    6.728800       1.720300      0.3194000    
 H    5.012100       2.172000      -1.342800    
 H    4.835300       1.026500      -2.678600    
 H   -4.134600      -2.800800       2.202200    
 H  -5.5599999E-02  9.3900003E-02  -1.086100    
 H   -3.586800      -4.048100      0.1527000    
 H   -2.293300      -4.236400      -1.975800    
 H   0.4609000      -1.142300      -3.069800    
 H  -0.6409000      -3.309100      -3.546600    


%chk=000039474-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000039474

0 1
S 0.856862 -0.334124 2.953267
O -1.995240 2.729139 -0.759242
O 6.209890 -0.037725 -1.553319
N 4.200833 0.178963 0.537884
C -3.095048 2.073584 0.023917
C -2.562535 1.753885 1.427786
C -1.347777 0.774725 1.403870
C -4.278042 3.066095 -0.021979
C -4.080937 3.782142 -1.382191
C -2.545320 3.917971 -1.458780
C -0.645525 0.802887 2.784622
C -1.759058 -0.635576 0.963252
C -1.405072 -1.168550 -0.336706
C 3.349577 -0.230618 1.682472
C 1.936760 0.366644 1.559766
C -2.490097 -1.444017 1.845551
C 5.651538 0.176346 0.859066
C 3.952411 -0.619288 -0.692173
C -1.757708 -2.543034 -0.657508
C 6.446879 0.744544 -0.328405
C 4.769136 -0.045999 -1.861309
C -2.860280 -2.781887 1.518597
C -0.724859 -0.399200 -1.345916
C -2.486457 -3.329853 0.291812
C -1.379421 -3.093823 -1.927807
C -0.376097 -0.963321 -2.575606
C -0.693061 -2.327070 -2.869446
H -3.357404 1.136211 -0.507622
H -3.381891 1.321173 2.036897
H -2.257682 2.707887 1.903633
H -0.635991 1.196443 0.675268
H -5.252444 2.554606 0.055289
H -4.199184 3.792572 0.809949
H -4.454500 3.146790 -2.205673
H -4.595329 4.757116 -1.433259
H -2.154529 3.914991 -2.491346
H -2.195445 4.834764 -0.941455
H -1.318275 0.474510 3.596912
H -0.314760 1.833068 3.010428
H 3.282122 -1.343536 1.774815
H 3.814787 0.142231 2.613851
H 1.975104 1.464943 1.656931
H 1.473127 0.099518 0.596094
H -2.766872 -1.052889 2.832121
H 5.824765 0.807699 1.751150
H 6.024713 -0.854552 1.085722
H 4.233574 -1.692116 -0.539336
H 2.877483 -0.586352 -0.948885
H 7.532898 0.685581 -0.146226
H 6.151214 1.802775 -0.497153
H 4.427536 0.989159 -2.078625
H 4.664921 -0.670548 -2.763988
H -3.423386 -3.379469 2.243982
H -0.518521 0.662057 -1.175099
H -2.746152 -4.364484 0.037610
H -1.646723 -4.134824 -2.147131
H 0.131706 -0.351000 -3.329408
H -0.409114 -2.757865 -3.836022


