%chk=000176620.chk
%nprocshared=4
%mem=3800MB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000176620

0 1
 S   -2.363500     -0.5348000      -1.252500    
 S    2.361800     -0.5329000      -1.250400    
 O   6.9999998E-04  -3.210400      0.1400000    
 O   -1.093100       3.053600     -0.7648000    
 O   1.0700000E-02  -2.063400      -1.739800    
 O    1.108700       3.015200     -0.7592000    
 N   -1.563400       1.010500      0.9309000    
 N    1.558700       1.011600      0.9324000    
 N  -9.9999997E-05  -2.157500     -0.5074000    
 N  -2.3000001E-03   2.448300     -0.8162000    
 C   -1.092400      0.1564000     -0.1643000    
 C    1.089200      0.1573000     -0.1633000    
 C  -1.5000000E-03 -0.8341000      0.2985000    
 C  -1.5000000E-03  0.9349000     -0.9459000    
 C   -2.459700      0.2862000       1.835300    
 C    2.454700      0.2877000       1.837600    
 C   -3.386000      -1.267700      5.2499998E-02
 C    3.383400      -1.265500      5.5599999E-02
 C   -3.711200     -0.2489000       1.138900    
 C    3.707100     -0.2466000       1.142200    
 H  -1.7000000E-03  -1.073200       1.368300    
 H  -1.3000000E-03  0.7031000      -2.022600    
 H   -2.063400       1.836000      0.5997000    
 H   0.8098000       1.422900       1.490600    
 H   -2.767800      0.9777000       2.628100    
 H   -1.930700     -0.5296000       2.340500    
 H    1.928900     -0.5264000       2.348800    
 H    2.772400      0.9857000       2.621000    
 H   -2.866400      -2.131400      0.4797000    
 H   -4.311800      -1.634100     -0.4022000    
 H    4.309800      -1.631400     -0.3983000    
 H    2.863800      -2.129500      0.4824000    
 H   -4.352000     -0.7278000       1.889200    
 H   -4.294000      0.5816000      0.7199000    
 H    4.288500      0.5850000      0.7229000    
 H    4.348500     -0.7243000       1.892800    


%chk=000176620-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000176620

0 1
S -2.631673 -0.321287 -1.311489
S 2.550945 -0.468323 -1.210599
O -0.010891 -3.373385 -0.066729
O -0.739906 3.065522 -0.476207
O -0.094668 -2.065501 -1.947582
O 1.030872 2.773018 -1.878317
N -1.484276 0.829284 1.026016
N 1.475797 0.839165 1.009714
N -0.080108 -2.226187 -0.667569
N 0.095530 2.323623 -1.130423
C -1.137102 0.123586 -0.199857
C 1.096292 0.090035 -0.161615
C -0.082417 -1.012418 0.180253
C -0.002835 0.819495 -1.016030
C -2.449303 0.148409 1.927716
C 2.433141 0.230300 1.960504
C -3.714752 -1.067580 0.062891
C 3.704886 -1.058219 0.178077
C -3.827393 -0.139816 1.282676
C 3.805143 -0.026220 1.309014
H -0.093885 -1.337536 1.228318
H 0.015230 0.418804 -2.043446
H -1.735603 1.806505 0.809000
H 0.636937 1.237417 1.467044
H -2.571164 0.788359 2.819223
H -2.002726 -0.805035 2.272204
H 2.052665 -0.731083 2.385523
H 2.546234 0.937276 2.800772
H -3.291964 -2.051287 0.333589
H -4.692083 -1.228840 -0.421005
H 4.671363 -1.209246 -0.330624
H 3.338366 -2.033427 0.542383
H -4.477751 -0.621414 2.040419
H -4.310440 0.810496 0.985961
H 4.208588 0.925081 0.918735
H 4.501849 -0.405370 2.082360


