%chk=000148615.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000148615

0 1
 S   -5.941700     -0.1483000      0.3590000    
 O   -7.270400      0.3510000      0.6607000    
 O   -5.684200     -0.8569000     -0.8789000    
 N   0.4540000      0.3932000      -1.254000    
 N    4.091600     -0.1411000      0.7586000    
 N   -4.814800       1.135300      0.5796000    
 C    1.687300      0.2120000     -0.5713000    
 C    2.118000      -1.078800     -0.2485000    
 C    2.460100       1.326200     -0.2285000    
 C    3.343500      -1.210700      0.4261000    
 C    3.672100       1.100100      0.4454000    
 C    1.361600      -2.216200     -0.5807000    
 C    1.817900      -3.487500     -0.2452000    
 C  -0.8579000      0.5772000     -0.7981000    
 C    3.777500      -2.493400      0.7503000    
 C    2.051700       2.634700     -0.5403000    
 C    3.028300      -3.625900      0.4218000    
 C    4.445900       2.205400      0.7895000    
 C   -1.907800      0.7349000      -1.709900    
 C   -1.131300      0.6063000      0.5743000    
 C    2.843600       3.722600     -0.1851000    
 C   -3.478400      0.9473000      0.1136000    
 C    4.043100       3.507000      0.4811000    
 C    1.014000      -4.692100     -0.5979000    
 C   -3.213600      0.9195000      -1.255700    
 C   -2.437300      0.7907000       1.028700    
 C   -5.472700      -1.212800       1.705000    
 H   0.5596000      0.3815000      -2.264200    
 H   0.4145000      -2.132000      -1.108400    
 H    4.723000      -2.628000       1.272600    
 H    1.121900       2.838800      -1.064900    
 H    3.406000      -4.608200      0.6928000    
 H    5.390100       2.062700       1.312100    
 H   -1.716500      0.7183000      -2.780100    
 H  -0.3403000      0.4868000       1.310100    
 H    2.526600       4.732100     -0.4280000    
 H    4.668700       4.349000      0.7626000    
 H    1.253000      -5.537900      5.5799998E-02
 H  -5.7399999E-02  -4.493500     -0.4860000    
 H    1.212500      -4.986500      -1.633100    
 H   -4.012000       1.052800      -1.980900    
 H   -2.632200      0.8093000       2.097900    
 H   -4.876200       1.619000       1.485700    
 H   -5.543800     -0.6559000       2.641000    
 H   -6.167800      -2.055400       1.723800    
 H   -4.458200      -1.578900       1.539700    


%chk=000148615-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000148615

0 1
S -6.226408 0.600709 0.543632
O -7.491075 1.362438 1.228032
O -6.354443 -0.161289 -0.887731
N 0.283083 -0.156546 -1.183792
N 4.118326 -0.181568 0.782034
N -4.750967 2.006631 0.297573
C 1.529346 -0.139306 -0.500821
C 2.220026 -1.377423 -0.302731
C 2.145425 1.083041 -0.079184
C 3.534931 -1.333377 0.326904
C 3.440192 0.995626 0.592863
C 1.674115 -2.656453 -0.673809
C 2.387793 -3.842537 -0.491303
C -0.944614 0.392303 -0.767256
C 4.254708 -2.567752 0.499951
C 1.590039 2.386742 -0.329025
C 3.705903 -3.777029 0.095279
C 4.071057 2.205309 1.052441
C -2.038370 0.398920 -1.685833
C -1.144562 0.908386 0.547094
C 2.241399 3.535964 0.111530
C -3.487902 1.449672 -0.004831
C 3.485325 3.446243 0.825507
C 1.808861 -5.190072 -0.875978
C -3.284003 0.922131 -1.317142
C -2.402263 1.404304 0.922789
C -5.590749 -0.732048 1.794762
H 0.235669 -0.767614 -2.002544
H 0.656622 -2.710866 -1.079288
H 5.243737 -2.504605 0.963811
H 0.649795 2.474711 -0.880059
H 4.268653 -4.708225 0.233958
H 5.030555 2.098551 1.567441
H -1.894018 0.008797 -2.700902
H -0.323896 0.896736 1.269539
H 1.806987 4.520233 -0.094356
H 3.976628 4.361348 1.173402
H 1.749258 -5.863843 -0.000178
H 0.794511 -5.095336 -1.299240
H 2.444229 -5.696360 -1.627476
H -4.117588 0.946761 -2.024766
H -2.547732 1.781096 1.943747
H -4.781151 2.491568 1.217618
H -5.547715 -0.245741 2.778849
H -6.340189 -1.534793 1.756659
H -4.607928 -1.061740 1.430930


