%chk=000039690.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000039690

0 1
 S    2.604500       1.852300      -1.045600    
 O   -1.203600      -1.115700      0.2240000    
 O  -0.2523000       1.445900     -0.6295000    
 O  -0.2549000       2.158100       1.573000    
 N    1.738300       2.240900      0.3827000    
 C   -2.094000      -2.255100      0.4015000    
 C   -3.546800      -1.738000      0.5217000    
 C   -3.372400     -0.3579000      1.5600000E-02
 C   -2.023800     -6.9399998E-02 -0.1064000    
 C   -1.920700      -3.174800     -0.8138000    
 C   -1.660300      -2.985600       1.673300    
 C   -4.330900      0.5968000     -0.2728000    
 C   -1.576000       1.171600     -0.5170000    
 C   -3.902000       1.856600     -0.6984000    
 C   -2.532400       2.142400     -0.8190000    
 C   0.3728000       1.968400      0.5312000    
 C    2.524600       2.781200       1.482600    
 C    3.148400      0.1990000     -0.6356000    
 C    2.351000     -0.8934000     -0.9651000    
 C    4.367000      1.2300000E-02  1.0700000E-02
 C    2.775700      -2.183200     -0.6455000    
 C    4.791800      -1.277300      0.3303000    
 C    3.996000      -2.375000      2.2000000E-03
 H   -3.890700      -1.708900       1.561300    
 H   -4.253500      -2.320600     -7.6899998E-02
 H   -2.539900      -4.073700     -0.7283000    
 H   -2.188200      -2.657100      -1.742000    
 H  -0.8740000      -3.481300     -0.9224000    
 H   -2.290200      -3.859000       1.870300    
 H  -0.6182000      -3.316300       1.596800    
 H   -1.707900      -2.317900       2.541100    
 H   -5.388500      0.3806000     -0.1686000    
 H   -4.633700       2.624800     -0.9334000    
 H   -2.222500       3.130800      -1.148800    
 H    3.215600       3.545900       1.114500    
 H    3.081700       1.969100       1.958800    
 H    1.871100       3.234700       2.233600    
 H    1.398800     -0.7652000      -1.473200    
 H    5.000800      0.8556000      0.2729000    
 H    2.155700      -3.037600     -0.9007000    
 H    5.742000      -1.426900      0.8345000    
 H    4.326600      -3.379100      0.2512000    


%chk=000039690-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000039690

0 1
S 2.575748 1.930801 -0.763933
O -1.219044 -0.878496 0.411427
O -0.299143 1.755463 -0.490202
O -0.455455 2.118582 1.839558
N 1.616939 2.152409 0.745699
C -2.039389 -2.176227 0.540191
C -3.530050 -1.723421 0.357254
C -3.416587 -0.326852 -0.236372
C -2.071204 0.088105 -0.130581
C -1.567962 -3.089574 -0.604367
C -1.723509 -2.739495 1.928600
C -4.380038 0.537588 -0.784904
C -1.668700 1.371513 -0.543385
C -3.976754 1.826296 -1.222184
C -2.629874 2.241665 -1.095398
C 0.238580 2.009543 0.801978
C 2.370036 2.442528 1.981646
C 3.146738 0.178926 -0.549253
C 2.243468 -0.848196 -0.189567
C 4.508828 -0.105233 -0.805564
C 2.724485 -2.172373 -0.076011
C 4.970197 -1.439569 -0.716384
C 4.081207 -2.474274 -0.344677
H -4.052798 -1.695124 1.332488
H -4.077307 -2.425354 -0.296951
H -2.075673 -4.070284 -0.548337
H -1.793430 -2.634325 -1.584950
H -0.478241 -3.255114 -0.543551
H -2.292597 -3.671324 2.102342
H -0.647099 -2.966835 2.022519
H -1.991226 -2.010612 2.712247
H -5.426713 0.226442 -0.872568
H -4.711564 2.511205 -1.657166
H -2.309842 3.235431 -1.423660
H 2.957178 3.369108 1.860808
H 3.053578 1.607049 2.218522
H 1.648176 2.566419 2.803865
H 1.185188 -0.633068 -0.006894
H 5.201412 0.704298 -1.061230
H 2.031523 -2.971634 0.211701
H 6.023506 -1.662598 -0.919319
H 4.442412 -3.505392 -0.262639


