%chk=000077306.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000077306

0 1
 S   -5.862200      0.2104000      0.2163000    
 O   -6.504100      0.2390000      -1.287300    
 O   -6.377100     -0.9815000      0.8747000    
 O   -6.047700       1.524800      0.8112000    
 N   0.5516000     -0.5511000      0.5183000    
 N    6.032200      -1.462900     -0.2322000    
 N  -2.8400000E-02 -0.5172000     -0.5906000    
 C    2.797400      0.3735000      0.1903000    
 C    4.180900      0.1436000      1.0000000E-03
 C    1.931200     -0.7235000      0.3275000    
 C    4.657400      -1.176800     -4.5499999E-02
 C    2.320600       1.693600      0.2366000    
 C    5.046800       1.240600     -0.1365000    
 C    2.422000      -2.028700      0.2789000    
 C    3.782600      -2.254900      9.3099996E-02
 C    3.195300       2.771700      9.8600000E-02
 C    4.555900       2.545600     -8.7700002E-02
 C   -4.145900     -3.4000000E-03 -2.1700000E-02
 C   -1.410100     -0.3447000     -0.4000000    
 C   -3.315900       1.109800     -0.1554000    
 C   -3.604600      -1.287700     -7.7399999E-02
 C   -1.944700      0.9386000     -0.3451000    
 C   -2.233200      -1.458800     -0.2671000    
 H    1.266400       1.913900      0.3857000    
 H    6.116500       1.128500     -0.2838000    
 H    1.750800      -2.877000      0.3867000    
 H    4.149200      -3.277800      5.7999998E-02
 H    2.814100       3.788100      0.1376000    
 H    5.235800       3.385800     -0.1948000    
 H   -3.715600       2.119400     -0.1233000    
 H   -4.232500      -2.169200      1.7000001E-02
 H   -1.306200       1.811400     -0.4515000    
 H   -1.819600      -2.462700     -0.3115000    
 H    6.334200      -2.428500     -0.2605000    
 H    6.723900     -0.7376000     -0.3422000    
 H   -6.379900     -0.5844000      -1.815600    


%chk=000077306-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000077306

0 1
S -6.108934 0.354452 -0.153325
O -6.406814 -1.071984 1.010524
O -6.358597 1.730268 0.663945
O -6.911791 0.061510 -1.528840
N 0.662422 -0.054263 -0.231772
N 6.170144 -1.037137 -1.105512
N -0.192893 -0.655677 -1.037860
C 2.987734 0.338375 0.380572
C 4.401936 0.109267 0.184440
C 2.021322 -0.322469 -0.480713
C 4.829099 -0.785659 -0.878299
C 2.572078 1.220760 1.428465
C 5.336255 0.772754 1.044696
C 2.485004 -1.186675 -1.503979
C 3.855009 -1.414156 -1.699041
C 3.506392 1.854049 2.251816
C 4.902637 1.629398 2.059819
C -4.284837 0.052788 -0.385606
C -1.560721 -0.365497 -0.750791
C -3.884001 -0.779561 -1.444693
C -3.391852 0.685419 0.501252
C -2.502213 -0.982417 -1.621893
C -2.016453 0.473569 0.310667
H 1.499338 1.381377 1.560949
H 6.415471 0.621505 0.923270
H 1.740430 -1.674283 -2.140389
H 4.187583 -2.088119 -2.497803
H 3.169547 2.526139 3.048366
H 5.631726 2.127903 2.707149
H -4.624565 -1.234773 -2.108980
H -3.769978 1.331310 1.299975
H -2.122776 -1.617435 -2.428030
H -1.276310 0.939496 0.966361
H 6.451634 -1.665223 -1.854280
H 6.901678 -0.610587 -0.545501
H -7.377605 -1.054523 1.256839


