%chk=000061760.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000061760

0 1
 S    3.133000      0.8700000       1.119400    
 O    4.530300      0.4120000      0.8711000    
 O    3.910100      -3.199600      -1.411700    
 O  -0.9857000      -3.543500      0.1725000    
 N  -8.9199997E-02  -1.377200      0.1366000    
 N   -3.819300       1.451200     -0.6455000    
 N   -4.123400     -0.4201000      0.8420000    
 N   -1.890800       1.584500      -2.019400    
 C    2.089100     -0.3854000      0.3220000    
 C   0.8004000     -0.5082000      0.7213000    
 C    2.707800      -1.193900     -0.8044000    
 C    2.741500       2.197800     -3.7000000E-02
 C  -0.8782000     -0.8973000     -0.9883000    
 C    3.453100       3.483100      0.3603000    
 C   0.1802000      0.2913000       1.838500    
 C    3.383400      -2.470600     -0.3116000    
 C   -2.175900     -0.2866000     -0.5445000    
 C    3.148900       4.607700     -0.6163000    
 C  -0.2329000      -2.676300      0.6034000    
 C   -2.653500      0.8994000      -1.041500    
 C   -2.948300     -0.9145000      0.4003000    
 C   -4.493300      0.7488000      0.2850000    
 C   -5.787400       1.327200      0.7480000    
 H    3.430300     -0.5873000      -1.364700    
 H    1.951900      -1.457300      -1.554400    
 H    3.043400       1.891100      -1.044100    
 H    1.658000       2.357300     -3.5000000E-02
 H   -1.108000      -1.742200      -1.649800    
 H  -0.2501000     -0.2095000      -1.563000    
 H    3.147100       3.788900       1.368200    
 H    4.537600       3.322900      0.3931000    
 H  -0.2712000       1.208700       1.446900    
 H  -0.6050000     -0.2814000       2.346000    
 H   0.8937000      0.5601000       2.622400    
 H    4.212400      -2.244300      0.3657000    
 H    2.682800      -3.119900      0.2224000    
 H    3.667600       5.522900     -0.3141000    
 H    3.478300       4.349000      -1.627700    
 H    2.075500       4.820400     -0.6479000    
 H   0.4300000      -2.883000       1.461500    
 H   -2.690000      -1.858200      0.8593000    
 H    3.167300      -3.421600      -1.998500    
 H   -1.404300       1.036000      -2.717700    
 H   -2.272200       2.470400      -2.331100    
 H   -6.235400       1.953700     -2.9700000E-02
 H   -6.499500      0.5340000      0.9961000    
 H   -5.620100       1.940200       1.638500    


%chk=000061760-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000061760

0 1
S 3.198110 0.938369 0.949359
O 4.626725 0.687688 0.110506
O 3.973484 -3.192878 -1.506562
O -0.998889 -3.786325 0.576993
N -0.081437 -1.641061 0.305958
N -3.433162 1.581300 -0.325024
N -4.578031 -0.518126 0.117434
N -1.180531 1.690061 -0.900175
C 2.003444 -0.407401 0.222513
C 0.810020 -0.620703 0.847016
C 2.630137 -1.170777 -0.909192
C 2.416395 2.458623 -0.013643
C -0.968353 -1.340894 -0.860606
C 3.395019 3.633708 0.054430
C 0.286936 0.117893 2.063156
C 3.430794 -2.408632 -0.397313
C -2.208008 -0.531733 -0.524380
C 2.930620 4.807783 -0.839554
C -0.201159 -2.876521 0.935728
C -2.268774 0.898142 -0.584596
C -3.412231 -1.174156 -0.162872
C -4.536137 0.851763 0.013199
C -5.816538 1.599548 0.285439
H 3.358637 -0.523746 -1.437651
H 1.854611 -1.509540 -1.622062
H 2.286616 2.087594 -1.046054
H 1.442737 2.651581 0.469753
H -1.278919 -2.325936 -1.252763
H -0.359785 -0.841082 -1.637661
H 3.501588 3.979252 1.100942
H 4.389651 3.278381 -0.276472
H -0.571295 0.762150 1.794232
H -0.081614 -0.605649 2.813849
H 1.057338 0.744962 2.544148
H 4.311375 -2.059268 0.163840
H 2.790454 -3.031359 0.262731
H 3.650543 5.643277 -0.779250
H 2.862677 4.498992 -1.899203
H 1.941130 5.192444 -0.529303
H 0.499292 -2.986297 1.792997
H -3.440792 -2.268748 -0.093016
H 3.233726 -3.655078 -1.976009
H -0.257798 1.304632 -1.080516
H -1.341913 2.692539 -0.982979
H -5.639384 2.685026 0.268062
H -6.575031 1.341192 -0.475864
H -6.232275 1.299709 1.263036


