%chk=000088223.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000088223

0 1
 S    1.698500      1.8999999E-02  -1.201500    
 O   -3.270100     -0.2884000     -0.5870000    
 O   -2.340300     -0.3763000       1.511400    
 O  -0.4631000       3.090300      -1.034600    
 O    1.148800       3.290900      0.5472000    
 O    5.469700      -2.395500      5.4900002E-02
 N   -1.323600      0.7761000     -0.2272000    
 N    4.172600     -0.4911000     -0.2572000    
 C   -4.364200      -1.091000     -0.1293000    
 C  -0.1660000       1.254500      0.4864000    
 C   -3.815200      -2.433700      0.3510000    
 C   -5.313700      -1.290000      -1.308700    
 C   -5.067200     -0.3516000       1.008100    
 C   0.9873000      0.2487000      0.4469000    
 C   -2.313100      1.3000000E-03  0.3445000    
 C   0.2567000       2.637600      1.9800000E-02
 C    3.007700      -1.160000     -0.7914000    
 C    5.312100      -1.179400      0.1221000    
 C    6.383200     -0.2612000      0.6446000    
 H  -0.4743000       1.379500       1.532700    
 H   -3.087900      -2.837400     -0.3632000    
 H   -3.323400      -2.401900       1.326400    
 H   -4.626600      -3.164300      0.4528000    
 H   -4.797900      -1.776500      -2.144500    
 H   -5.672100     -0.3252000      -1.685700    
 H   -6.181700      -1.899100      -1.035800    
 H   -6.058200     -0.7845000       1.190100    
 H   -5.204700      0.7078000      0.7621000    
 H   -4.548200     -0.3951000       1.968800    
 H    1.785900      0.5947000       1.112600    
 H   0.6425000     -0.7243000      0.8144000    
 H   -1.414000       1.008000      -1.212000    
 H    2.661000      -1.914100     -7.7600002E-02
 H    3.314500      -1.680300      -1.704300    
 H    4.140600      0.5197000     -0.1655000    
 H  -0.1788000       3.986200      -1.315300    
 H    6.005000      0.3008000       1.503200    
 H    7.251100     -0.8473000      0.9591000    
 H    6.689600      0.4348000     -0.1412000    


%chk=000088223-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000088223

0 1
S 1.568990 -1.260485 -1.378654
O -3.200182 -0.229296 -0.426688
O -1.990324 -0.766092 1.552303
O 0.387652 2.383032 -1.145009
O 2.221658 2.006681 0.221875
O 4.551390 -1.151551 1.441993
N -1.031076 0.381925 -0.241271
N 4.210298 -0.419335 -0.744405
C -4.503077 -0.877211 0.029176
C 0.263641 0.521432 0.424289
C -4.274401 -2.385870 0.249322
C -5.422742 -0.612849 -1.175242
C -5.010604 -0.163172 1.297953
C 1.108183 -0.779089 0.399474
C -2.075086 -0.255611 0.399716
C 1.071952 1.685501 -0.146197
C 3.445929 -1.580699 -1.141867
C 4.695806 -0.254427 0.558512
C 5.379581 1.079930 0.819151
H 0.081098 0.744576 1.497346
H -3.855035 -2.849996 -0.660914
H -3.587186 -2.561364 1.091859
H -5.240492 -2.874661 0.472322
H -5.011536 -1.078387 -2.087375
H -5.527597 0.471347 -1.353223
H -6.424410 -1.037077 -0.983204
H -6.012339 -0.549325 1.561596
H -5.096396 0.923583 1.120038
H -4.330017 -0.336503 2.146216
H 2.041978 -0.644084 0.966614
H 0.517062 -1.592088 0.846743
H -1.181539 0.809463 -1.155362
H 3.569976 -2.351685 -0.367530
H 3.757838 -1.964011 -2.126998
H 4.255263 0.376189 -1.383856
H 0.954110 3.126741 -1.485262
H 4.604428 1.841949 1.018759
H 6.024168 0.986821 1.705552
H 5.985540 1.417399 -0.040651


