%chk=000112347.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000112347

0 1
 S   -5.282300     -0.9026000     -0.7314000    
 S   -1.946100      -3.181200      8.9400001E-02
 O   -8.597000       1.328400     -0.1588000    
 O   -7.335100      0.4112000       1.541300    
 N    5.466900       1.168300      1.3700000E-02
 N  -1.3900000E-02  4.8300002E-02 -0.3474000    
 N  -0.2216000      -1.169000     -0.1261000    
 N    8.592200      -2.524400      0.4019000    
 N   -2.562700     -0.7848000     -0.4569000    
 N   -3.578200      -2.895800     -0.1459000    
 C    6.446700      0.1492000     -0.3061000    
 C    5.922100       2.476000      0.4415000    
 C    4.087900      0.8864000     -7.7399999E-02
 C    6.805700     -0.6672000      0.9310000    
 C    5.871100       3.452000     -0.7184000    
 C    3.659600     -0.3752000     -0.4901000    
 C    3.152500       1.869600      0.2455000    
 C    2.295800     -0.6539000     -0.5799000    
 C    1.788700       1.590900      0.1557000    
 C    1.360300      0.3292000     -0.2570000    
 C    7.804200      -1.704900      0.6341000    
 C   -6.275400       1.624000     -0.2827000    
 C   -5.012000      0.7861000     -0.1234000    
 C   -7.433000       1.039400      0.4962000    
 C   -3.684800      -1.594900     -0.4172000    
 C   -1.521100      -1.542400     -0.1921000    
 C   -9.790400      0.8374000      0.4603000    
 H    7.362800      0.6442000     -0.6607000    
 H    6.166200     -0.4790000      -1.159100    
 H    5.377200       2.849900       1.315500    
 H    6.964500       2.411800      0.7801000    
 H    7.193700     -6.3000000E-03   1.715600    
 H    5.909700      -1.143300       1.346200    
 H    6.253100       4.428500     -0.4033000    
 H    4.860400       3.600700      -1.107900    
 H    6.493600       3.102600      -1.549600    
 H    4.331700      -1.187700     -0.7411000    
 H    3.418100       2.867400      0.5760000    
 H    2.004000      -1.643900     -0.9214000    
 H    1.065800       2.361800      0.4100000    
 H   -6.541700       1.693700      -1.344400    
 H   -6.102700       2.640300      8.7499999E-02
 H   -4.202500       1.256200     -0.6915000    
 H   -4.711700      0.7440000      0.9294000    
 H   -10.64120       1.133500     -0.1590000    
 H   -9.909700       1.277700       1.454800    
 H   -9.763400     -0.2547000      0.5211000    


%chk=000112347-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000112347

0 1
S -5.546272 -1.153590 -1.023222
S -2.073373 -3.680069 -1.018332
O -8.511160 1.374431 0.288305
O -6.668267 1.274954 1.710277
N 5.366835 1.241583 0.150644
N -0.054727 -0.315471 -0.419989
N -0.319161 -1.596520 -0.651837
N 8.919277 -2.098683 0.844562
N -2.763818 -1.125997 -0.789638
N -3.822156 -3.258009 -1.104867
C 6.491304 0.317708 -0.057693
C 5.716201 2.636053 0.516481
C 4.041915 0.832364 -0.003728
C 6.818886 -0.506589 1.232364
C 5.804939 3.585081 -0.699755
C 3.714180 -0.542838 -0.286478
C 2.955986 1.764526 0.117392
C 2.390612 -0.957362 -0.431489
C 1.631868 1.340641 -0.025441
C 1.315722 -0.022217 -0.300131
C 7.975874 -1.393162 1.034958
C -6.338862 1.513490 -0.731307
C -5.059507 0.663671 -0.731646
C -7.141169 1.363223 0.555511
C -3.900565 -1.908336 -0.964370
C -1.670442 -1.896347 -0.786299
C -9.395812 1.266219 1.475714
H 7.381993 0.904898 -0.341088
H 6.285573 -0.368507 -0.896837
H 4.985761 3.014546 1.253618
H 6.692421 2.610691 1.035425
H 7.031932 0.184821 2.069208
H 5.940507 -1.109311 1.527528
H 6.078675 4.603751 -0.370015
H 4.842233 3.641497 -1.236134
H 6.572366 3.239850 -1.415429
H 4.505907 -1.290604 -0.388966
H 3.150025 2.822093 0.310503
H 2.148902 -2.003531 -0.642803
H 0.801468 2.048369 0.065235
H -6.983711 1.301784 -1.600566
H -6.038832 2.578356 -0.802356
H -4.374430 0.955549 -1.540530
H -4.535874 0.722758 0.233649
H -10.415841 1.301451 1.068942
H -9.211207 2.105217 2.167573
H -9.208176 0.315066 2.001060


