%chk=000050562.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000050562

0 1
 S  -0.7395000       1.458800     -1.2500000E-02
 O    1.395300      -1.253900       1.377900    
 N  -0.6335000      -1.165400     -0.4906000    
 N   -2.292700      -2.611900      0.2595000    
 N  -0.2904000      -3.524200     -0.2962000    
 N   -2.737800     -6.9799997E-02 -0.4986000    
 N   -3.269900       1.194900     -0.3175000    
 C   -1.019200      -2.438500     -0.1935000    
 C   -2.545800      -3.994400      0.5295000    
 C   -1.197900      -4.623000      0.1535000    
 C   0.7558000     -0.9651000     -0.9253000    
 C   -2.571900       3.521600      0.1874000    
 C   -1.446200     -4.7400001E-02 -0.3638000    
 C   -2.335800       2.084700     -5.7399999E-02
 C    1.646200     -0.7544000      0.2831000    
 C   -3.437800       3.791200       1.441000    
 C   -3.190500       4.252900      -1.027700    
 C    2.868900      8.8200003E-02  0.1308000    
 C    3.494900      0.1259000      -1.094000    
 C    3.322500      0.7942000       1.221200    
 C    4.637700      0.9131000      -1.236200    
 C    4.465100       1.581500       1.079100    
 C    5.122700       1.640900     -0.1497000    
 H   -3.357700      -4.382300     -9.2399999E-02
 H   -2.785600      -4.159200       1.583900    
 H    1.129400      -1.841700      -1.469300    
 H   0.8282000     -0.1304000      -1.632300    
 H  -0.7514000      -5.135600       1.012100    
 H   -1.317100      -5.351000     -0.6560000    
 H   -2.981500      -1.889800      0.4275000    
 H   -1.610200       4.019200      0.3768000    
 H   -4.442300       3.369500       1.324000    
 H   -3.536000       4.866500       1.622900    
 H   -2.984800       3.335300       2.328200    
 H   -2.559700       4.128900      -1.914700    
 H   -3.290400       5.324900     -0.8278000    
 H   -4.183100       3.853600      -1.264100    
 H    3.149200     -0.4448000      -1.949500    
 H    2.817000      0.7614000       2.181500    
 H    5.152400      0.9563000      -2.191600    
 H    4.842200       2.149300       1.924700    
 H    6.012800       2.253300     -0.2601000    


%chk=000050562-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000050562

0 1
S -0.938518 1.912226 -0.515621
O 1.097219 -0.095455 1.625683
N -0.606855 -0.882118 -0.426474
N -2.286569 -2.572175 0.110058
N -0.145341 -3.227612 -0.466596
N -2.751154 0.062983 0.164758
N -3.417930 1.289994 0.255760
C -1.000148 -2.238850 -0.257461
C -2.376811 -4.040240 0.243174
C -0.928104 -4.484493 -0.215338
C 0.812409 -0.660635 -0.735533
C -3.155351 3.781490 -0.012274
C -1.466500 0.180498 -0.219731
C -2.681263 2.345815 -0.045190
C 1.631672 -0.193918 0.487250
C -3.577114 4.176967 1.429144
C -4.321076 3.990587 -1.016758
C 3.080052 0.123646 0.263315
C 3.725252 -0.078261 -0.987718
C 3.828870 0.642464 1.355081
C 5.092502 0.234707 -1.140663
C 5.192524 0.956943 1.199851
C 5.827883 0.754268 -0.049762
H -3.169567 -4.457014 -0.405360
H -2.591978 -4.335183 1.288325
H 1.197368 -1.646592 -1.068387
H 0.914977 0.060302 -1.568889
H -0.421355 -5.088581 0.558196
H -0.962551 -5.087419 -1.141828
H -2.988858 -1.851918 0.328392
H -2.310199 4.427802 -0.318038
H -4.410051 3.538057 1.769519
H -3.907309 5.231425 1.450153
H -2.739870 4.058552 2.139530
H -4.013000 3.743954 -2.048491
H -4.654498 5.043949 -0.994732
H -5.174050 3.343847 -0.748374
H 3.175407 -0.489189 -1.840940
H 3.314309 0.785568 2.311152
H 5.585509 0.072397 -2.105185
H 5.762343 1.357041 2.045399
H 6.889322 0.997471 -0.171595


