%chk=000063268.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000063268

0 1
 S    1.906500      -1.497800       1.722900    
 O   0.4518000       1.454300       2.646400    
 N  -0.7849000      0.8535000      0.7332000    
 N  -0.3712000       2.014600      -1.313700    
 N   0.6285000      -2.149700     -0.4204000    
 C   -1.404400     -0.2529000       1.416400    
 C   -1.025300       1.124800     -0.6314000    
 C  -0.7964000      -1.502600       1.456900    
 C   0.1500000       1.614400       1.466000    
 C   0.8704000       2.649800      0.6951000    
 C   0.6009000       2.783800     -0.6670000    
 C   -2.127200      0.4377000      -1.347100    
 C   0.4778000      -1.746700      0.8182000    
 C   -2.630400     -4.1400000E-02   2.038100    
 C   -1.421600      -2.553900       2.127300    
 C    1.830500       3.458500       1.315500    
 C   -3.255700      -1.092800       2.708400    
 C    1.305900       3.741200      -1.406400    
 C   -2.651300      -2.349100       2.753000    
 C    2.841800      -1.966700      0.3524000    
 C    1.980400      -2.280700     -0.7032000    
 C   -1.868300     -0.7336000      -2.050600    
 C   -3.411200      0.9703000      -1.307100    
 C    2.525200       4.408200      0.5675000    
 C    2.264500       4.548800     -0.7932000    
 C    4.237300      -2.050700      0.2207000    
 C    2.537900      -2.693100      -1.932900    
 C   -2.906000      -1.380100      -2.722200    
 C   -4.448800      0.3238000      -1.978600    
 C   -4.196200     -0.8514000      -2.686200    
 C    4.763100      -2.461400      -1.006800    
 C    3.926300      -2.778900      -2.071000    
 H   -3.109000      0.9338000       2.012600    
 H  -0.9661000      -3.540500       2.171200    
 H    2.053600       3.361400       2.374400    
 H   -4.212900     -0.9331000       3.195900    
 H    1.108200       3.866100      -2.468500    
 H   -3.138500      -3.167700       3.274600    
 H  -0.8648000      -1.136600      -2.119600    
 H   -3.617500       1.885500     -0.7586000    
 H    3.271000       5.036500       1.045500    
 H    2.805000       5.288200      -1.376800    
 H    4.896700      -1.804100       1.047200    
 H    1.893100      -2.943000      -2.770800    
 H   -2.707500      -2.290500      -3.280100    
 H   -5.453400      0.7356000      -1.950800    
 H   -5.003700      -1.353800      -3.210600    
 H    5.840600      -2.533000      -1.129800    
 H    4.353300      -3.096300      -3.018400    


%chk=000063268-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000063268

0 1
S 1.849129 -2.954992 1.882994
O 0.972415 0.921843 2.219589
N -0.675962 0.768407 0.542979
N -0.820190 2.372282 -1.252235
N 1.050739 -1.486270 -0.232734
C -1.309021 -0.292045 1.311321
C -1.223644 1.247990 -0.673676
C -0.644068 -1.523493 1.584192
C 0.469562 1.397373 1.162155
C 0.924773 2.623700 0.488262
C 0.235590 3.092660 -0.674693
C -2.290291 0.459735 -1.357896
C 0.643983 -1.864030 0.964771
C -2.569082 -0.020700 1.884428
C -1.277462 -2.450760 2.453856
C 2.018606 3.357788 1.017028
C -3.194747 -0.964277 2.725684
C 0.652627 4.308729 -1.286058
C -2.538637 -2.180965 3.019869
C 2.928081 -2.818618 0.440127
C 2.320279 -1.990213 -0.562165
C -2.168319 -0.940451 -1.557884
C -3.411526 1.147684 -1.888367
C 2.420967 4.554615 0.402643
C 1.731422 5.030174 -0.750109
C 4.198583 -3.394578 0.245290
C 3.001846 -1.743299 -1.778317
C -3.173069 -1.641376 -2.258056
C -4.420115 0.440146 -2.575746
C -4.306780 -0.958509 -2.757686
C 4.864499 -3.136183 -0.973828
C 4.271361 -2.318595 -1.975060
H -3.048875 0.940865 1.675694
H -0.779140 -3.403487 2.665633
H 2.522151 2.966819 1.907093
H -4.176049 -0.743427 3.157978
H 0.115893 4.647103 -2.177435
H -3.008125 -2.916041 3.681671
H -1.269349 -1.460070 -1.211579
H -3.471845 2.233698 -1.764774
H 3.264071 5.124272 0.807454
H 2.050124 5.964754 -1.225009
H 4.664101 -4.022650 1.010585
H 2.530676 -1.109792 -2.535461
H -3.066491 -2.719530 -2.420883
H -5.287982 0.977461 -2.973761
H -5.088292 -1.508416 -3.294177
H 5.854154 -3.572667 -1.146525
H 4.811428 -2.133965 -2.909584


