%chk=000118653.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000118653

0 1
 S    4.736400       1.396800     -0.5230000    
 S    6.896900      -2.154300      0.1052000    
 O   -4.101400     -0.8495000     -0.1752000    
 O    5.016800       1.393300      -1.953400    
 O    5.439100       2.335200      0.3435000    
 O   -1.993700       1.474900      -1.771600    
 O   -3.132600     -0.2250000       1.851100    
 N   -1.083500       2.237300      0.2520000    
 N    4.924400     -0.2020000      8.0300003E-02
 N   -1.635600      -1.666100      -1.088000    
 N    7.097500      0.2403000       1.058100    
 C    3.023300       1.644500     -0.2947000    
 C   0.3065000       2.036900      6.7000002E-02
 C    2.128000       1.301900      -1.308000    
 C    2.549800       2.184700      0.9011000    
 C   -3.466000       2.302500     -0.1720000    
 C   0.7593000       1.499700      -1.125800    
 C    1.181000       2.382400       1.083200    
 C   -4.254200       1.410900      0.5284000    
 C   -2.128600       1.959300     -0.6379000    
 C   -2.422400      -2.533400     -0.4235000    
 C   -2.021300      -3.863000     -0.1758000    
 C   -3.670600      -2.128600      4.1499998E-02
 C   -3.963800       3.576700     -0.4441000    
 C   -5.521500       1.743300      0.9680000    
 C   -3.753100      4.7200002E-02  0.8343000    
 C   -2.868000      -4.741500      0.5213000    
 C   -4.512600      -3.001800      0.7345000    
 C   -5.240400       3.934200     -1.0200000E-02
 C   -6.019100       3.017500      0.6958000    
 C  -0.7648000      -4.271100     -0.6436000    
 C   -4.111100      -4.310000      0.9749000    
 C    6.300900     -0.5950000      0.4525000    
 C   4.8099998E-02  -3.379500      -1.328600    
 C  -0.4302000      -2.099600      -1.522900    
 C    8.384000      -1.700500      0.8290000    
 C    8.302400     -0.3985000       1.276500    
 H    2.475300      0.8740000      -2.244400    
 H    3.227900       2.451900       1.706600    
 H   0.1323000       1.214100      -1.956700    
 H   0.8220000       2.802000       2.018800    
 H   -1.343100       2.638800       1.151000    
 H    4.449300     -0.9452000     -0.4490000    
 H   -3.366800       4.300400     -0.9934000    
 H   -6.133200       1.034200       1.518300    
 H   -2.563300      -5.767700      0.7148000    
 H   -5.483200      -2.664200       1.087700    
 H   -5.628000       4.926500     -0.2221000    
 H   -7.013100       3.295900       1.033600    
 H  -0.4129000      -5.286600     -0.4768000    
 H   -4.762600      -4.991600       1.513000    
 H    1.021500      -3.678600      -1.698900    
 H   0.1591000      -1.364700      -2.059500    
 H    9.218600      -2.384100      0.8913000    
 H    9.100600      0.1370000       1.772600    


%chk=000118653-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000118653

0 1
S 4.829190 1.773621 0.031212
S 7.119785 -1.663378 -0.968663
O -3.866421 -1.032816 0.423871
O 5.518974 3.044342 -0.724925
O 5.369746 1.201589 1.456915
O -1.705757 3.680992 -1.540881
O -2.552078 0.447220 1.646892
N -1.188675 2.340295 0.303895
N 5.034521 0.272347 -1.419607
N -1.178773 -1.212073 -0.358035
N 4.497016 -1.810691 -0.343525
C 2.989405 2.026031 0.138029
C 0.219956 2.321661 0.232899
C 2.369272 2.842861 -0.822769
C 2.287968 1.369080 1.165558
C -3.552995 2.526807 -0.497724
C 0.971145 3.003384 -0.769977
C 0.894428 1.531951 1.212284
C -4.143819 1.311015 -0.010147
C -2.073743 2.891032 -0.613271
C -1.708804 -2.230227 0.417456
C -0.943300 -3.385925 0.832222
C -3.078909 -2.148652 0.841264
C -4.409561 3.479817 -1.110595
C -5.538007 1.089358 -0.184911
C -3.407845 0.252333 0.745731
C -1.579001 -4.423942 1.587585
C -3.687409 -3.164624 1.570243
C -5.796548 3.271763 -1.232413
C -6.365516 2.062263 -0.775856
C 0.443692 -3.413195 0.464457
C -2.926999 -4.318552 1.937354
C 5.353426 -0.966994 -0.932785
C 0.986815 -2.363493 -0.278111
C 0.123974 -1.295402 -0.689037
C 6.464904 -3.120495 -0.187144
C 5.104657 -2.983403 0.077999
H 2.963264 3.354277 -1.586552
H 2.817280 0.751664 1.897058
H 0.448140 3.628350 -1.494996
H 0.313302 1.017064 1.984899
H -1.606658 1.747306 1.046249
H 5.769171 0.723571 -1.995355
H -3.941752 4.379160 -1.521719
H -5.963329 0.142246 0.157923
H -0.993324 -5.299698 1.890442
H -4.737358 -3.067273 1.861609
H -6.424201 4.039149 -1.697167
H -7.438690 1.874400 -0.883746
H 1.063413 -4.259889 0.782518
H -3.413030 -5.114423 2.510591
H 2.050137 -2.318439 -0.537001
H 0.521409 -0.481144 -1.305089
H 7.099896 -3.983054 0.004599
H 4.497916 -3.746967 0.567051


