%chk=000071483.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000071483

0 1
 S   -2.609700     -0.6881000      0.9979000    
 S   -6.232200      -2.561700      -1.419900    
 O   -2.581000       3.147600      -1.630300    
 O   0.5062000       3.086400     -0.9735000    
 O   -6.354600       1.337700       1.275400    
 O   0.7592000       1.325200      -2.410200    
 O    4.644900       2.151900       1.938900    
 O    4.152800      0.3230000       3.048700    
 O    8.042900      -2.254000      -1.647100    
 O    8.644200      -1.280000      0.2262000    
 N   -1.710500       1.530700     -0.1492000    
 N   -4.734400       1.056600     -0.3622000    
 N    4.524400      0.9066000       2.004200    
 N    7.774800      -1.566900     -0.6319000    
 C   -2.524600       1.116200      0.9794000    
 C   -3.691600       1.850900      0.2849000    
 C   -2.609100       2.375800     -0.7005000    
 C  -0.4485000       1.079800     -0.3776000    
 C  -0.8047000     -0.8788000       1.204200    
 C   3.1500001E-02 -1.4300000E-02  0.2622000    
 C   -5.996000      0.8655000      0.1978000    
 C   0.3390000       1.814300      -1.382700    
 C    1.384900     -0.5192000      0.1239000    
 C   -6.919500      2.1299999E-02 -0.6574000    
 C    2.447000      0.2845000      5.8200002E-02
 C   -6.772500      -1.421600     -0.2621000    
 C    3.837200     -0.1798000     -9.1399997E-02
 C   -7.020900      -2.004800      0.9609000    
 C    4.819700      0.1268000      0.8499000    
 C    4.159200     -0.9462000      -1.211500    
 C   -6.763800      -3.406200      0.9475000    
 C    6.124400     -0.3331000      0.6713000    
 C    5.463900      -1.406000      -1.390200    
 C   -6.329100      -3.840600     -0.2854000    
 C    6.446500      -1.099400     -0.4488000    
 H   -2.210700       1.575900       1.924100    
 H   -4.111800       2.664000      0.8901000    
 H   -4.541400      0.6078000      -1.254600    
 H  -0.5961000      -1.941800       1.039500    
 H  -0.5436000     -0.6452000       2.242700    
 H    1.504900      -1.597600      5.9300002E-02
 H   -6.702900      0.1884000      -1.718600    
 H   -7.950200      0.3521000     -0.4845000    
 H    2.355700       1.360500      0.1795000    
 H    1.028600       3.614800      -1.614000    
 H   -7.372200      -1.458300       1.826900    
 H    3.410400      -1.192400      -1.960800    
 H    6.876200     -8.2800001E-02   1.417400    
 H   -6.891600      -4.062300       1.798600    
 H    5.678700      -1.999200      -2.275400    
 H   -6.063600      -4.847800     -0.5740000    


%chk=000071483-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000071483

0 1
S -2.581828 -1.117108 1.752866
S -7.344246 -0.408190 -2.253785
O -2.816832 2.273651 -1.360278
O 0.460382 2.750263 -0.694268
O -6.419568 1.887671 1.882962
O 0.569158 0.802967 -1.974626
O 3.424912 2.400954 -0.912000
O 5.307851 2.193221 -2.161371
O 8.378371 -2.672961 0.189387
O 8.803164 -0.802069 -1.052456
N -1.714822 1.217053 0.549802
N -4.958110 0.652916 0.556078
N 4.506607 1.770665 -1.243937
N 8.022343 -1.555312 -0.353864
C -2.593130 0.765761 1.655506
C -3.810043 1.445264 0.915823
C -2.788619 1.777641 -0.227919
C -0.430824 0.757743 0.267744
C -0.688605 -1.127727 1.977517
C 0.118749 -0.305415 0.974898
C -6.217850 0.943859 1.066403
C 0.246302 1.397719 -0.928271
C 1.513083 -0.709957 0.814915
C -7.362877 0.016057 0.602293
C 2.544009 0.150852 0.500816
C -7.059537 -0.918551 -0.537607
C 3.927645 -0.254577 0.247773
C -6.545406 -2.210512 -0.497592
C 4.864203 0.506400 -0.539426
C 4.431549 -1.476212 0.803936
C -6.363622 -2.815337 -1.796183
C 6.194320 0.082083 -0.744122
C 5.746377 -1.911985 0.619841
C -6.740154 -1.990033 -2.842708
C 6.622434 -1.115975 -0.157204
H -2.318776 1.180839 2.637013
H -4.179544 2.335493 1.456940
H -4.869959 -0.119225 -0.111907
H -0.403874 -2.191799 1.899044
H -0.486692 -0.804096 3.014339
H 1.712545 -1.782614 0.954158
H -8.218002 0.678032 0.378600
H -7.662698 -0.570097 1.492125
H 2.331097 1.216609 0.406520
H 0.962660 3.155391 -1.454436
H -6.313285 -2.721051 0.441618
H 3.765783 -2.074325 1.432208
H 6.875101 0.675449 -1.359174
H -5.972435 -3.824379 -1.944655
H 6.116575 -2.838269 1.066455
H -6.713480 -2.180577 -3.913992


