%chk=000173733.chk
%nprocshared=4
%mem=7500MB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000173733

0 1
 S   0.5170000       2.423600      0.5414000    
 O   0.4561000       2.351900       1.987600    
 O   0.6779000       3.698300     -0.1299000    
 N   -4.746500     -0.1526000     -0.4868000    
 N   -3.843300      -2.322300      3.4000002E-02
 N   -1.576500      -2.568700      0.6357000    
 N   -6.094100      -2.070800     -0.5714000    
 C  -0.9385000       1.658200     -0.1169000    
 C   -2.180600       2.484300      0.2114000    
 C   -1.083900      0.2313000      0.4188000    
 C   -3.413200       1.878700     -0.4581000    
 C   -2.424800     -0.3689000      0.1178000    
 C   -3.530600      0.3928000     -0.2477000    
 C    1.822900       1.356300      1.9099999E-02
 C   -2.652400      -1.729700      0.2535000    
 C    2.204600      0.3034000      0.8347000    
 C    2.442700       1.590500      -1.193700    
 C    3.242500     -0.5538000      0.4342000    
 C   -4.831500      -1.486800     -0.3288000    
 C    3.887600     -0.3278000     -0.8051000    
 C    3.475800      0.7489000      -1.607300    
 C    3.654300      -1.630300       1.236300    
 C    4.925600      -1.184900      -1.205700    
 C    4.687200      -2.472000      0.8226000    
 C    5.321700      -2.249900     -0.3960000    
 H  -0.8099000       1.635500      -1.207400    
 H   -2.063000       3.522300     -0.1211000    
 H   -2.329900       2.519900       1.298700    
 H  -0.3108000     -0.3916000     -4.3400001E-02
 H  -0.9406000      0.2057000       1.505900    
 H   -4.312800       2.376600     -7.8400001E-02
 H   -3.367800       2.062900      -1.538600    
 H    1.707500      0.1283000       1.786000    
 H    2.143500       2.409500      -1.840400    
 H    3.956500      0.9404000      -2.564400    
 H  -0.8699000      -2.197700       1.258500    
 H   -1.784200      -3.557600      0.7088000    
 H    3.172600      -1.823400       2.192600    
 H    5.435600      -1.029900      -2.154200    
 H   -6.208400      -3.069300     -0.4658000    
 H   -6.868800      -1.483000     -0.8466000    
 H    4.995900      -3.301300       1.452500    
 H    6.125700      -2.905600     -0.7173000    


%chk=000173733-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000173733

0 1
S 0.537163 1.982153 0.942671
O 0.477748 1.527304 2.520743
O 0.600667 3.562897 0.509378
N -4.927236 -0.101030 -0.966482
N -4.718198 -2.095436 0.437789
N -2.855019 -2.447201 1.791777
N -6.588828 -1.751609 -0.926305
C -1.027611 1.173650 0.005803
C -2.077958 2.258637 -0.217296
C -1.529001 0.002680 0.851463
C -3.208431 1.642524 -1.077925
C -2.912375 -0.433067 0.382650
C -3.697152 0.313354 -0.526231
C 2.051425 1.134040 0.183034
C -3.498731 -1.651257 0.864088
C 2.604930 0.057278 0.859607
C 2.582136 1.677197 -1.018986
C 3.767249 -0.576958 0.307032
C -5.368444 -1.302689 -0.471644
C 4.323861 -0.066869 -0.932794
C 3.712210 1.067228 -1.567087
C 4.394580 -1.695367 0.948840
C 5.485422 -0.703196 -1.482326
C 5.525056 -2.293124 0.387331
C 6.073269 -1.794019 -0.837781
H -0.565469 0.847530 -0.943735
H -1.634528 3.139638 -0.712459
H -2.485479 2.593962 0.754818
H -0.815328 -0.844435 0.775681
H -1.538757 0.313870 1.918372
H -4.068745 2.332180 -1.136508
H -2.862926 1.490360 -2.120366
H 2.175921 -0.274373 1.812825
H 2.127282 2.567504 -1.465156
H 4.152222 1.460016 -2.490897
H -1.990046 -2.159761 2.238998
H -3.333404 -3.289072 2.105519
H 3.975760 -2.072625 1.888966
H 5.909276 -0.319228 -2.417652
H -6.959589 -2.629548 -0.575155
H -7.101964 -1.182401 -1.593106
H 5.999575 -3.146593 0.883372
H 6.960667 -2.272745 -1.265764


