%chk=000071763.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000071763

0 1
 S    4.735800      -1.610600      0.3459000    
 O  -0.3899000       2.850900       1.215100    
 O    5.008300      -2.312100     -0.8938000    
 O    5.288500     -0.2930000      0.5950000    
 N   -3.793200     -0.8702000      0.3208000    
 N    1.193900       2.263300      -1.868200    
 N    1.464200     -5.5100001E-02  -2.248400    
 N    2.178800      0.6789000     -0.3181000    
 N    1.936300      -1.161600      -1.654700    
 C   -5.232300      -1.100100      0.1313000    
 C   -2.995200      -1.831800     -0.4527000    
 C   -5.621000     -0.9795000      -1.343200    
 C   -3.310800      -1.735500      -1.946100    
 C   -4.799800      -1.925400      -2.212000    
 C   -3.446200     -0.9420000       1.739900    
 C   -2.137600     -0.2573000       2.032700    
 C   -1.866500      0.9947000       1.480900    
 C   -1.196400     -0.8752000       2.856100    
 C  -0.6543000       1.629000       1.752600    
 C   1.5900001E-02 -0.2411000       3.127700    
 C   0.2869000       1.011000       2.576100    
 C  -5.8600001E-02   4.082100     -0.8179000    
 C  -0.9839000       3.147100     -4.8000000E-02
 C    1.311800       3.471600      -1.087300    
 C    1.611800       1.034300      -1.447500    
 C    2.975200      -1.508600      0.5391000    
 C    2.356900     -0.6641000     -0.4898000    
 C   0.8949000     -0.1325000      -3.572200    
 C    5.226600      -2.667300       1.686700    
 H   -5.807000     -0.3536000      0.6931000    
 H   -5.522500      -2.089000      0.5103000    
 H   -3.177700      -2.858500     -0.1083000    
 H   -1.923700      -1.635100     -0.3287000    
 H   -5.466500      5.3399999E-02  -1.680400    
 H   -6.687800      -1.199000      -1.464100    
 H   -2.738100      -2.491500      -2.495200    
 H   -2.992900     -0.7559000      -2.325800    
 H   -5.081700      -2.962400      -1.991900    
 H   -5.018500      -1.749400      -3.270900    
 H   -3.442500      -1.981500       2.094200    
 H   -4.198500     -0.4154000       2.343200    
 H   -2.630700       1.479500      0.8798000    
 H   -1.394100      -1.850500       3.292500    
 H   0.7498000     -0.7228000       3.767200    
 H    1.233800       1.499300       2.789400    
 H   8.5100003E-02   5.004500     -0.2424000    
 H  -0.5372000       4.357200      -1.765400    
 H   -1.162200       2.248900     -0.6520000    
 H   -1.942500       3.649500      0.1255000    
 H    1.917100       4.191300      -1.650300    
 H    1.841900       3.294700     -0.1438000    
 H   0.7716000       2.375900      -2.786500    
 H    2.580700      -2.529100      0.5016000    
 H    2.782200      -1.101300       1.536400    
 H    1.473200      0.5142000      -4.236500    
 H   0.9402000      -1.164700      -3.929500    
 H  -0.1465000      0.1948000      -3.519900    
 H    6.311200      -2.787000       1.646100    
 H    4.936800      -2.198800       2.629000    
 H    4.738500      -3.636400       1.568900    


%chk=000071763-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000071763

0 1
S 2.054936 -2.448401 -0.478505
O 0.198569 2.592561 1.367185
O 1.310751 -3.842810 -0.036739
O 3.611745 -2.445311 -0.972983
N -3.338263 -1.422657 1.017940
N 2.021651 3.059762 -2.230521
N 2.252041 1.125215 -3.699730
N 1.318858 0.786737 -1.683542
N 1.958319 -0.254019 -3.666798
C -4.747241 -1.807663 0.735268
C -2.393022 -2.506318 0.636806
C -4.948587 -2.152315 -0.753673
C -2.526299 -2.866583 -0.855345
C -3.977732 -3.272588 -1.192124
C -3.166505 -1.014534 2.433641
C -1.872141 -0.255179 2.713011
C -1.445856 0.773353 1.832715
C -1.134096 -0.521044 3.889755
C -0.300200 1.540300 2.151203
C 0.013283 0.250281 4.198362
C 0.432459 1.282686 3.339187
C 0.349367 4.031875 -0.542489
C -0.465024 2.891358 0.080857
C 1.812606 3.641624 -0.887367
C 1.861237 1.723825 -2.506683
C 0.907642 -1.684074 -1.930435
C 1.401600 -0.393997 -2.429782
C 2.894616 1.719573 -4.867272
C 1.899681 -1.200738 0.965858
H -5.401581 -0.962643 1.023719
H -5.054254 -2.692753 1.354875
H -2.574591 -3.427146 1.251761
H -1.364527 -2.172079 0.863712
H -4.761541 -1.244086 -1.359584
H -6.000227 -2.455852 -0.919707
H -1.814642 -3.678943 -1.094724
H -2.253456 -1.981303 -1.465154
H -4.230741 -4.211621 -0.657553
H -4.084819 -3.478192 -2.273983
H -3.228180 -1.891288 3.128707
H -4.021897 -0.354875 2.686307
H -2.021854 0.935879 0.916251
H -1.455782 -1.323472 4.563558
H 0.582338 0.043962 5.111740
H 1.311877 1.895340 3.561059
H 0.372779 4.867894 0.182908
H -0.166096 4.398449 -1.450990
H -0.448636 1.987324 -0.555286
H -1.510460 3.210262 0.268983
H 2.453439 4.540314 -0.829939
H 2.177115 2.926654 -0.129451
H 2.295821 3.682854 -2.988115
H 0.938684 -2.488024 -2.679532
H -0.061961 -1.627803 -1.417958
H 3.818165 2.253912 -4.577670
H 3.161518 0.900366 -5.549664
H 2.216733 2.414886 -5.397274
H 2.729609 -1.452694 1.640095
H 1.987434 -0.198462 0.523693
H 0.916941 -1.366579 1.427013


