%chk=000028547.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000028547

0 1
 S   -2.359400      0.5691000     -0.8031000    
 O    3.082300      -1.407800     -0.7685000    
 O   -4.155200     -0.1050000       1.017400    
 N    2.025700       1.884700      0.3932000    
 N   0.3995000      -2.853300      0.8494000    
 C   0.9235000     -0.6406000     -7.8100003E-02
 C   0.1218000      0.3946000      0.3902000    
 C    2.275500     -0.4146000     -0.3109000    
 C   0.3373000      -1.992200     -0.3313000    
 C   -1.332300      0.2099000      0.6551000    
 C    2.773200      0.8543000     -6.1700001E-02
 C   0.7159000       1.627200      0.6080000    
 C    4.218800       1.150700     -0.2945000    
 C   -3.959000      0.2544000     -0.1371000    
 C   -5.067600      0.4687000      -1.128300    
 H  -0.6943000      -1.940500     -0.6911000    
 H   0.8719000      -2.490300      -1.149300    
 H   -1.558100     -0.7903000       1.035900    
 H   -1.638400      0.8939000       1.456900    
 H   0.1449000       2.476200      0.9715000    
 H    4.482200      0.9985000      -1.346100    
 H    4.444500       2.194300     -4.8999999E-02
 H    4.851500      0.5220000      0.3403000    
 H  -9.5500000E-02  -2.420400       1.627400    
 H    1.368100      -2.962700       1.147300    
 H    3.994200      -1.098300     -0.8812000    
 H   -4.953200     -0.2100000      -1.978100    
 H   -5.075500       1.507300      -1.470500    
 H   -6.027400      0.2582000     -0.6467000    


%chk=000028547-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000028547

0 1
S -2.473739 1.232582 -0.569356
O 2.609794 -1.516452 -0.783666
O -3.645616 -0.905667 0.707863
N 2.296671 1.948343 0.528336
N 0.319220 -2.811858 0.592496
C 0.664090 -0.362105 0.048337
C 0.106801 0.830044 0.595567
C 2.052964 -0.336425 -0.245071
C -0.124681 -1.650921 -0.209787
C -1.349830 0.966946 0.959916
C 2.847167 0.818115 -0.006929
C 0.967252 1.938063 0.816999
C 4.325657 0.842526 -0.339277
C -3.716754 -0.128467 -0.269457
C -4.790692 -0.175111 -1.338930
H -1.198435 -1.492077 -0.022027
H -0.020005 -1.922361 -1.276193
H -1.778688 0.075821 1.453311
H -1.512756 1.847133 1.600653
H 0.566901 2.865526 1.244631
H 4.519398 0.669909 -1.417606
H 4.721296 1.837133 -0.083710
H 4.899218 0.090483 0.239368
H 0.149562 -2.710081 1.597989
H 1.284418 -3.087854 0.384887
H 3.562662 -1.379118 -1.012252
H -4.335585 -0.346608 -2.330872
H -5.331105 0.787159 -1.383027
H -5.500285 -0.986679 -1.115094


