%chk=000153810.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000153810

0 1
 S   -6.218400      0.8643000      -1.737700    
 O   -2.871100     -0.4402000       3.008400    
 O    6.082000      0.4870000      0.5535000    
 O   -7.257900       1.732200      -2.259200    
 O   -5.303700      0.1880000      -2.636000    
 N  -0.5591000     -0.5086000       1.405500    
 N    3.214100     -0.9629000     -0.3619000    
 N    5.396800       1.479000      -1.449300    
 N   -5.360000       1.718300     -0.5130000    
 C   0.7203000     -0.6628000      0.8063000    
 C    1.677100      0.3479000      0.9450000    
 C    1.011800      -1.823600      8.2900003E-02
 C    2.928300      0.1533000      0.3359000    
 C    2.289100      -1.933300     -0.4924000    
 C    3.884900       1.156000      0.4704000    
 C    1.411400       1.524900       1.666300    
 C   -1.759000      4.3699998E-02  0.9382000    
 C   6.9499999E-02  -2.855200     -7.2800003E-02
 C    3.624200       2.326900       1.186600    
 C    2.384900       2.512100       1.785900    
 C    2.585300      -3.086800      -1.213800    
 C   -2.902800      7.2300002E-02   1.745700    
 C    5.202400       1.010700     -0.1393000    
 C   -1.821400      0.5764000     -0.3553000    
 C   0.3906000      -3.998100     -0.7988000    
 C   -4.143900       1.153300     -2.2900000E-02
 C    1.651300      -4.113800      -1.370600    
 C   -4.090500      0.6250000       1.266900    
 C   -3.009200       1.128900     -0.8340000    
 C    6.684500       1.386100      -2.122800    
 C    4.319800       2.091100      -2.224400    
 C   -7.027700     -0.3735000     -0.7491000    
 C   -3.203700      -1.818900       3.155800    
 H  -0.5864000     -0.8396000       2.365400    
 H   0.4547000       1.699900       2.151500    
 H  -0.9238000      -2.799100      0.3647000    
 H    4.382900       3.099700       1.281600    
 H    2.177500       3.419700       2.344300    
 H    3.566400      -3.200900      -1.671300    
 H  -0.9537000      0.5745000      -1.010000    
 H  -0.3384000      -4.793800     -0.9167000    
 H    1.912200      -5.001600      -1.939000    
 H   -4.973100      0.6414000       1.902100    
 H   -3.031400       1.548200      -1.836500    
 H   -5.947900       2.140800      0.2182000    
 H    6.567600      0.7843000      -3.028500    
 H    7.432100      0.9190000      -1.476700    
 H    7.018900       2.393000      -2.388000    
 H    3.365700       2.144600      -1.701100    
 H    4.178900       1.506200      -3.138700    
 H    4.624100       3.107300      -2.493300    
 H   -7.630400      0.1197000      1.5799999E-02
 H   -7.674200     -0.9583000      -1.407400    
 H   -6.276800      -1.025400     -0.3001000    
 H   -2.525200      -2.448600       2.571900    
 H   -4.238700      -1.997000       2.847100    
 H   -3.103800      -2.084100       4.211800    


%chk=000153810-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000153810

0 1
S -6.760954 -0.279209 -1.619745
O -2.500619 -0.053210 3.034142
O 6.442797 0.121544 0.927251
O -8.328710 0.143682 -1.761646
O -5.815526 -0.506467 -2.926923
N -0.586712 -0.135141 1.243696
N 3.174080 -0.568102 -0.796762
N 5.878700 1.092060 -1.118248
N -5.805811 1.214882 -0.486372
C 0.627816 -0.278504 0.526748
C 1.763474 0.481431 0.960862
C 0.774561 -1.206536 -0.552160
C 3.035214 0.275325 0.273468
C 2.080574 -1.286228 -1.201998
C 4.207279 0.991598 0.733117
C 1.696522 1.440936 2.028424
C -1.864392 0.153902 0.751720
C -0.264541 -2.101350 -0.988059
C 4.104443 1.862349 1.819101
C 2.843210 2.111556 2.448714
C 2.254190 -2.192788 -2.306911
C -2.928865 0.207421 1.717757
C 5.584519 0.688790 0.172693
C -2.165470 0.462023 -0.602848
C -0.052550 -2.978634 -2.047671
C -4.529761 0.833854 -0.032966
C 1.213638 -3.013995 -2.726806
C -4.242073 0.504874 1.333827
C -3.470478 0.801898 -0.989125
C 7.180164 0.727082 -1.700219
C 4.926142 1.759764 -2.014524
C -6.701813 -1.952609 -0.642568
C -3.496419 0.021122 4.106142
H -0.525769 -0.110752 2.267119
H 0.734125 1.664077 2.501427
H -1.228859 -2.095818 -0.473195
H 5.005738 2.362839 2.187863
H 2.785059 2.839673 3.264591
H 3.241587 -2.218035 -2.777760
H -1.364385 0.457431 -1.346350
H -0.854204 -3.653774 -2.365498
H 1.358306 -3.704453 -3.564653
H -5.051358 0.522665 2.072398
H -3.702249 1.059134 -2.026003
H -6.499799 1.331201 0.281577
H 7.041139 0.052536 -2.567304
H 7.771382 0.211608 -0.928077
H 7.722214 1.631121 -2.036867
H 4.106800 2.213541 -1.436666
H 4.486383 1.042805 -2.733568
H 5.446012 2.561172 -2.572517
H -7.374133 -1.839577 0.218886
H -7.060244 -2.707665 -1.356122
H -5.653334 -2.115058 -0.357532
H -4.285413 -0.742114 3.965528
H -3.951676 1.028698 4.154335
H -2.942851 -0.184974 5.033377


