%chk=000038394.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000038394

0 1
 S    4.300900       3.927800      5.1800001E-02
 S    2.656900      -4.568100      3.7900001E-02
 O    4.258700       2.297100     -1.2800000E-02
 O    3.212500      -3.036100      0.1320000    
 O    2.956900       4.450300     -8.7499999E-02
 O    5.401600       4.413800     -0.7553000    
 O    1.213100      -4.550600     -7.9200000E-02
 O    3.338300      -5.388900       1.018300    
 O   -5.357100       1.036400       2.700000    
 O   -3.738000     -0.4745000       2.188000    
 N    3.014400     -0.2302000     -2.2800000E-02
 N   -2.459400      0.8304000     -0.5305000    
 N   -3.106200     -0.2421000     -0.5021000    
 C    3.938300      0.1633000      -1.067900    
 C    3.527200     -0.8890000       1.161900    
 C    1.635400      3.6899999E-02 -0.1510000    
 C    3.913500       1.672200      -1.242600    
 C    2.913600      -2.272500       1.293900    
 C    1.047800      8.0200002E-02  -1.415500    
 C   0.8591000      0.2575000      0.9867000    
 C  -0.3160000      0.3445000      -1.542100    
 C  -0.5046000      0.5217000      0.8600000    
 C   -1.085400      0.5639000     -0.4038000    
 C    4.769100       4.054100       1.759000    
 C    3.336700      -4.935900      -1.559700    
 C   -4.475700      2.4000000E-02 -0.6283000    
 C   -5.268900      0.2477000      0.4972000    
 C   -5.044500      6.3900001E-02  -1.901400    
 C   -6.630700      0.5113000      0.3494000    
 C   -6.406200      0.3276000      -2.049000    
 C   -7.199300      0.5512000     -0.9237000    
 C   -4.701900      0.2121000       1.838900    
 H    3.724200     -0.3488000      -2.012100    
 H    4.960800     -0.1308000     -0.8001000    
 H    3.357500     -0.2912000       2.063900    
 H    4.615500      -1.006900       1.088400    
 H    4.651400       1.957000      -2.001200    
 H    2.939000       2.042400      -1.575000    
 H    1.829500      -2.242400       1.437300    
 H    3.348000      -2.774700       2.165900    
 H    1.609900     -0.1042000      -2.325400    
 H    1.278000      0.2530000       1.988000    
 H  -0.7669000      0.3734000      -2.530400    
 H   -1.100100      0.6998000       1.751300    
 H    3.998300       3.583800       2.372600    
 H    4.852400       5.113300       2.011000    
 H    5.732300       3.560000       1.899200    
 H    2.916100      -4.242700      -2.290800    
 H    3.063800      -5.961400      -1.817200    
 H    4.422900      -4.839100      -1.512800    
 H   -4.435800     -0.1099000      -2.785000    
 H   -7.278400      0.6767000       1.206500    
 H   -6.849100      0.3577000      -3.040100    
 H   -8.260200      0.7532000      -1.039000    
 H   -4.968900       1.006800       3.600500    


%chk=000038394-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000038394

0 1
S 5.373499 3.143883 0.766529
S 4.844214 -4.473851 -0.745873
O 4.603637 1.495127 0.249806
O 4.160286 -2.726076 -0.505330
O 4.239760 4.296599 0.661256
O 6.795197 3.329507 0.020587
O 3.936346 -5.315482 -1.784578
O 5.167664 -5.075173 0.724793
O -5.464234 3.580437 -0.883455
O -4.230083 2.829141 0.931396
N 2.285716 -0.369218 -0.191370
N -3.331758 0.451984 -0.476859
N -4.123989 -0.300412 0.249502
C 3.180699 0.200287 -1.207432
C 2.929577 -1.161783 0.864929
C 0.896763 -0.189686 -0.245946
C 3.688278 1.628284 -0.904448
C 3.105739 -2.660491 0.530327
C 0.302751 0.733751 -1.167817
C 0.016519 -0.921928 0.624298
C -1.086315 0.908585 -1.211709
C -1.367964 -0.738548 0.576328
C -1.947185 0.180591 -0.347257
C 5.649625 2.625794 2.570829
C 6.428715 -3.874542 -1.598704
C -5.498370 0.062985 0.166662
C -5.982977 1.395782 -0.043578
C -6.424445 -1.005096 0.294495
C -7.376177 1.599396 -0.206584
C -7.806822 -0.782269 0.145010
C -8.285292 0.522848 -0.122775
C -5.104555 2.599721 0.064411
H 2.671720 0.223202 -2.188438
H 4.049598 -0.471943 -1.313555
H 2.347044 -1.084885 1.800267
H 3.923727 -0.725786 1.066482
H 4.238969 2.010964 -1.786832
H 2.859261 2.314533 -0.652732
H 2.166786 -3.098112 0.144613
H 3.439276 -3.207595 1.435389
H 0.925592 1.334645 -1.835569
H 0.419980 -1.653136 1.330835
H -1.539467 1.622431 -1.907349
H -2.032752 -1.300933 1.239384
H 4.651928 2.447061 2.990884
H 6.169732 3.466490 3.050387
H 6.264239 1.717029 2.532710
H 6.100487 -3.317162 -2.485591
H 6.994522 -4.780456 -1.855918
H 6.946168 -3.240707 -0.867949
H -6.024535 -2.007178 0.479119
H -7.740268 2.616371 -0.381287
H -8.507256 -1.620058 0.229540
H -9.358039 0.704641 -0.246043
H -4.901235 4.385435 -0.720491


