%chk=000103915.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000103915

1 1
 S   -4.182400     -0.4180000     -0.4115000    
 O   -5.366900     -0.8283000      0.6320000    
 O   -3.804000      -1.593900      -1.173800    
 O   -4.547800      0.8253000      -1.065700    
 N   0.8191000      0.7364000      0.4799000    
 C  -0.4809000      0.4878000       1.124700    
 C   -1.584700      0.1737000      0.1188000    
 C    1.668800     -0.2847000      0.2599000    
 C    1.094900       2.001900      0.1378000    
 C   -2.928300     -8.3600000E-02  0.7848000    
 C    2.910800     -2.0600000E-02 -0.3588000    
 C    2.297600       2.317700     -0.4723000    
 C    3.211100       1.299300     -0.7217000    
 C    1.328700      -1.587300      0.6380000    
 C   0.1014000       3.081300      0.4146000    
 C    3.794800      -1.087100     -0.5859000    
 C    2.219400      -2.634300      0.4045000    
 C    3.448500      -2.385500     -0.2053000    
 H  -0.7646000       1.346600       1.740300    
 H  -0.3842000     -0.2896000       1.887500    
 H   -1.296800     -0.7082000     -0.4665000    
 H   -1.684400      0.9804000     -0.6146000    
 H   -3.250300      0.7835000       1.370000    
 H   -2.860500     -0.9545000       1.444800    
 H    2.539900       3.337100     -0.7560000    
 H    4.157400       1.541400      -1.199800    
 H   0.3839000      -1.870300       1.085400    
 H   4.3200001E-02   3.290100       1.487600    
 H   0.4104000       4.019400     -6.2799998E-02
 H  -0.8903000       2.865000      1.4300000E-02
 H    4.758400     -0.9160000      -1.060600    
 H    1.953400      -3.647900      0.6909000    
 H    4.138600      -3.204600     -0.3869000    
 H   -5.252100      -1.697200       1.084000    


%chk=000103915-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000103915

1 1
S -4.198543 -0.626544 -0.390854
O -5.581817 -0.336677 0.794011
O -4.160867 -2.165606 -0.879251
O -4.090347 0.573635 -1.471055
N 0.823321 0.772567 0.552078
C -0.467541 0.454195 1.252415
C -1.541009 -0.038452 0.250268
C 1.727367 -0.285604 0.281323
C 1.074380 2.068785 0.152658
C -2.865013 -0.320759 0.968173
C 2.963241 0.018106 -0.404620
C 2.286903 2.364325 -0.526494
C 3.219535 1.364256 -0.798255
C 1.457451 -1.632140 0.661197
C 0.082696 3.168819 0.439227
C 3.894997 -1.033743 -0.679794
C 2.391167 -2.637114 0.375265
C 3.616899 -2.344964 -0.295286
H -0.813387 1.362152 1.767225
H -0.263133 -0.293335 2.034629
H -1.190643 -0.946984 -0.272293
H -1.710440 0.735680 -0.522706
H -3.271240 0.537805 1.525446
H -2.892196 -1.239713 1.573090
H 2.466706 3.397386 -0.829860
H 4.151354 1.604695 -1.320577
H 0.533082 -1.913949 1.168093
H 0.011179 3.387621 1.521869
H 0.408004 4.094540 -0.057772
H -0.932714 2.936127 0.073021
H 4.827510 -0.787765 -1.198351
H 2.171212 -3.667537 0.671307
H 4.327358 -3.149203 -0.505182
H -6.453372 -0.545306 0.348656


