%chk=000065634.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000065634

0 1
 S    4.421200       2.458800     -2.5200000E-02
 O   -4.367900      -3.296400       1.048000    
 O    4.847300     -0.9226000      0.5311000    
 O   -6.433600      -2.690400     -3.5200000E-02
 O   -3.220500       4.534300      0.3132000    
 O   -1.545700       5.488200     -0.7541000    
 N   -1.911400       1.683600      0.2860000    
 N   0.4521000       1.950000      0.6391000    
 N   -2.012200       4.694100      7.8199998E-02
 N    2.865800      -2.911800      0.1773000    
 C  -0.7610000       2.588300      0.1115000    
 C   -1.986400      0.6552000     -0.7431000    
 C   -1.051300       3.893100      0.8641000    
 C    1.678300       2.522400      0.1039000    
 C   -3.200100     -0.2196000     -0.5744000    
 C    2.882500       1.754600      0.6346000    
 C   -3.119400      -1.374200      0.2078000    
 C   -4.405200      0.1338000      -1.206500    
 C   -4.257700      -2.143800      0.3326000    
 C   -5.437300      -1.798000     -0.2860000    
 C    5.590700       1.372700      0.8228000    
 C   -5.543500     -0.6633000      -1.063700    
 C    5.706900      4.8200000E-02  0.1251000    
 C    5.120100      -2.022200     -0.2195000    
 C    4.301500      -3.212600      4.9899999E-02
 C    6.525600     -0.4194000     -0.8765000    
 C   -5.749200      -3.636700      0.8109000    
 C    6.144500      -1.764100      -1.100100    
 C    2.276400      -2.712000      -1.142400    
 C    2.189200      -3.990100      0.8902000    
 H  -0.6376000       2.800600     -0.9592000    
 H   -1.861600       1.258800       1.211500    
 H   0.4541000       1.989100       1.657500    
 H   -1.087400      2.5500000E-02 -0.7314000    
 H   -2.023300       1.115400      -1.739000    
 H   -1.478800       3.729400       1.860400    
 H  -0.1627000       4.522200      0.9834000    
 H    1.663600       2.461700     -0.9915000    
 H    1.763100       3.578800      0.3825000    
 H    2.911200       1.805400       1.728600    
 H    2.806700      0.7040000      0.3368000    
 H   -2.197400      -1.660100      0.7028000    
 H   -4.463600       1.034500      -1.812700    
 H    5.304400       1.239900       1.871200    
 H    6.570300       1.862800      0.8180000    
 H   -6.474600     -0.3942000      -1.549200    
 H    4.478100      -3.988700     -0.7065000    
 H    4.672000      -3.625700      0.9985000    
 H    7.300600      0.1372000      -1.383700    
 H   -5.791000      -4.624600      0.3380000    
 H   -6.269000      -3.685600       1.774600    
 H    6.565600      -2.456200      -1.815200    
 H    2.363400      -3.600700      -1.778400    
 H    1.212600      -2.464100      -1.050500    
 H    2.741400      -1.867700      -1.663300    
 H    1.122000      -3.767200       1.002100    
 H    2.286500      -4.953100      0.3758000    
 H    2.590700      -4.097500       1.904100    


%chk=000065634-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000065634

0 1
S 4.759620 2.240277 2.226780
O -4.584503 -3.323457 3.136306
O 3.850310 -0.729213 0.502818
O -5.968415 -3.364307 1.175669
O -2.452619 2.644653 -2.280111
O -0.610770 1.679724 -3.228423
N -1.284351 1.017237 0.204772
N 0.760758 2.166000 0.983116
N -1.192696 2.374015 -2.305658
N 1.781404 -0.866878 -1.926234
C -0.028987 1.660311 -0.156509
C -1.195829 -0.191003 1.043284
C -0.342751 2.837957 -1.147721
C 2.228670 2.272268 0.873629
C -2.492932 -0.996000 1.027237
C 2.869642 2.083899 2.262324
C -2.850304 -1.754044 2.182019
C -3.317433 -1.023610 -0.125778
C -4.013245 -2.522016 2.111639
C -4.826456 -2.546237 0.959017
C 5.269389 0.386702 2.191124
C -4.508295 -1.799094 -0.176929
C 5.143725 -0.292993 0.879967
C 3.965528 -1.327097 -0.775615
C 2.723516 -1.893513 -1.388987
C 6.041209 -0.615884 -0.128882
C -5.727330 -4.019867 2.487337
C 5.292781 -1.275254 -1.176064
C 2.379475 -0.078467 -3.031776
C 0.506164 -1.500152 -2.345351
H 0.611776 0.917233 -0.675916
H -2.051195 1.651582 0.459159
H 0.306770 2.908818 1.529049
H -0.909546 0.034000 2.095158
H -0.364784 -0.800342 0.632268
H -0.913031 3.634942 -0.641373
H 0.599013 3.229136 -1.562655
H 2.575900 1.466350 0.204257
H 2.577210 3.238782 0.442255
H 2.525793 2.857672 2.972201
H 2.611056 1.092956 2.670717
H -2.238187 -1.734450 3.089075
H -3.022600 -0.419653 -0.989417
H 4.670881 -0.110617 2.972475
H 6.323706 0.405748 2.509186
H -5.147124 -1.809853 -1.063718
H 3.043278 -2.607023 -2.190689
H 2.172557 -2.481022 -0.629790
H 7.108658 -0.404214 -0.122170
H -5.453427 -5.078686 2.317267
H -6.622668 -3.902432 3.117290
H 5.686983 -1.665453 -2.112633
H 2.659779 -0.714210 -3.909313
H 1.648638 0.675621 -3.368033
H 3.290080 0.435113 -2.678310
H -0.189819 -0.719934 -2.697163
H 0.641190 -2.243618 -3.170049
H 0.042836 -2.020400 -1.487331


